AB00745115-01
TL;DR: AB00745115-01 (CAS 956400-65-0) is a chemical compound with molecular formula C20H22N4OS and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-N-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
Also Known As: AB00745115-01, 2-methylsulfanyl-N-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide, 2-(methylsulfanyl)-N-(1-{[4-(propan-2-yl)phenyl]methyl}-1H-pyrazol-5-yl)pyridine-3-carboxamide
| Molecular Formula | C20H22N4OS |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 4.424 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.15143 |
| Heavy Atoms | 26 |
| Complexity | 886.8367 |
Chemical Identifiers
| CAS Number | 956400-65-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC |
Product Overview
AB00745115-01 (CAS 956400-65-0), with molecular formula C20H22N4OS and molecular weight 366.15 g/mol. IUPAC: 2-methylsulfanyl-N-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.
Chemical Property Profile of AB00745115-01
Property Insights of AB00745115-01
The XLogP value of 4.424 indicates that AB00745115-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00745115-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00745115-01 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 AB00745115-01?
The CAS number of AB00745115-01 is 956400-65-0.
What is the molecular formula of AB00745115-01?
The molecular formula of AB00745115-01 is C20H22N4OS.
What is the molecular weight of AB00745115-01?
The molecular weight of AB00745115-01 is 366.15 g/mol.
Where can I buy AB00745115-01?
You can request a quote for AB00745115-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00745115-01?
Yes, KEHONG BIO provides custom synthesis services for AB00745115-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.