12B-049
TL;DR: 12B-049 (CAS 303995-37-1) is a chemical compound with molecular formula C23H18ClN3O2 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-N-methyl-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
Also Known As: 12B-049, N-(4-chlorophenyl)-N-methyl-1-oxo-2-(2-pyridinylmethyl)-1,2-dihydro-4-isoquinolinecarboxamide, N-(4-chlorophenyl)-N-methyl-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide, N-(4-chlorophenyl)-N-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
| Molecular Formula | C23H18ClN3O2 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 4.3748 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.10876 |
| Heavy Atoms | 29 |
| Complexity | 1234.6953 |
Chemical Identifiers
| CAS Number | 303995-37-1 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)Cl)C(=O)C2=CN(C(=O)C3=CC=CC=C32)CC4=CC=CC=N4 |
Product Overview
12B-049 (CAS 303995-37-1), with molecular formula C23H18ClN3O2 and molecular weight 403.11 g/mol. IUPAC: N-(4-chlorophenyl)-N-methyl-1-oxo-2-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide.
Chemical Property Profile of 12B-049
Property Insights of 12B-049
The XLogP value of 4.3748 indicates that 12B-049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 12B-049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12B-049 has 0 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-049?
The CAS number of 12B-049 is 303995-37-1.
What is the molecular formula of 12B-049?
The molecular formula of 12B-049 is C23H18ClN3O2.
What is the molecular weight of 12B-049?
The molecular weight of 12B-049 is 403.11 g/mol.
Where can I buy 12B-049?
You can request a quote for 12B-049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12B-049?
Yes, KEHONG BIO provides custom synthesis services for 12B-049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.