12B-044
TL;DR: 12B-044 (CAS 303995-33-7) is a chemical compound with molecular formula C22H16ClN3O2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
Also Known As: 12B-044, N-(4-chlorophenyl)-1-oxo-2-(2-pyridinylmethyl)-1,2-dihydro-4-isoquinolinecarboxamide, N-(4-chlorophenyl)-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide, N-(4-chlorophenyl)-1-oxo-2-[(pyridin-2-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide, N-(4-Chlorophenyl)-1,2-dihydro-1-oxo-2-(2-pyridinylmethyl)-4-isoquinolinecarboxamide
| Molecular Formula | C22H16ClN3O2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 4.3505 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0931 |
| Heavy Atoms | 28 |
| Complexity | 1202.1174 |
Chemical Identifiers
| CAS Number | 303995-33-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CC=CC=N3)C(=O)NC4=CC=C(C=C4)Cl |
Product Overview
12B-044 (CAS 303995-33-7), with molecular formula C22H16ClN3O2 and molecular weight 389.09 g/mol. IUPAC: N-(4-chlorophenyl)-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide.
Chemical Property Profile of 12B-044
Property Insights of 12B-044
The XLogP value of 4.3505 indicates that 12B-044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 12B-044. Following Lipinski's Rule of Five, 12B-044 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12B-044?
The CAS number of 12B-044 is 303995-33-7.
What is the molecular formula of 12B-044?
The molecular formula of 12B-044 is C22H16ClN3O2.
What is the molecular weight of 12B-044?
The molecular weight of 12B-044 is 389.09 g/mol.
Where can I buy 12B-044?
You can request a quote for 12B-044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12B-044?
Yes, KEHONG BIO provides custom synthesis services for 12B-044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.