AB00742194-01
TL;DR: AB00742194-01 (CAS 956450-79-6) is a chemical compound with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
Also Known As: AB00742194-01, N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide, N-{1-[(4-bromophenyl)methyl]-1H-pyrazol-5-yl}-2-(methylsulfanyl)pyridine-3-carboxamide
| Molecular Formula | C17H15BrN4OS |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 4.0631 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.01498 |
| Heavy Atoms | 24 |
| Complexity | 847.8067 |
Chemical Identifiers
| CAS Number | 956450-79-6 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br |
Product Overview
AB00742194-01 (CAS 956450-79-6), with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol. IUPAC: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide.
Chemical Property Profile of AB00742194-01
Property Insights of AB00742194-01
The XLogP value of 4.0631 indicates that AB00742194-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00742194-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00742194-01 has 1 hydrogen bond donor(s) and 4 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 AB00742194-01?
The CAS number of AB00742194-01 is 956450-79-6.
What is the molecular formula of AB00742194-01?
The molecular formula of AB00742194-01 is C17H15BrN4OS.
What is the molecular weight of AB00742194-01?
The molecular weight of AB00742194-01 is 402.01 g/mol.
Where can I buy AB00742194-01?
You can request a quote for AB00742194-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00742194-01?
Yes, KEHONG BIO provides custom synthesis services for AB00742194-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.