Pmc Isochem

CAS 1383385-64-5

Chemistry, 1 End Use API, 15 Related Intermediates

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1 Suppliers

1 Suppliers

Also known as: 1383385-64-5, N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide, Schembl10366689, Amy12401, Mfcd22124426

Molecular Formula

C₁₈H₂₁BN₂O₃

Molecular Weight

324.2 g/mol

InChI Key

BFQWQKOPPQDARN-UHFFFAOYSA-N

1 2D Structure

CAS 1383385-64-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

2.1.2 InChI

InChI=1S/C18H21BN2O3/c1-17(2)18(3,4)24-19(23-17)14-10-8-13(9-11-14)16(22)21-15-7-5-6-12-20-15/h5-12H,1-4H3,(H,20,21,22)

2.1.3 InChI Key

BFQWQKOPPQDARN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1383385-64-5

2. N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

3. N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

4. Schembl10366689

5. Amy12401

6. Mfcd22124426

7. Zb1409

8. Zinc204728403

9. Sb18333

10. Ac-30656

11. Bs-15287

12. Db-109903

13. Cs-0160418

2.3 Create Date

2012-12-01

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₁BN₂O₃
Molecular Weight	324.2 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	324.1645227 g/mol
Monoisotopic Mass	324.1645227 g/mol
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	445
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1148-11-4

End Use API

Acalabrutinib

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.