AB00680474-01
TL;DR: AB00680474-01 (CAS 886932-34-9) is a chemical compound with molecular formula C20H18N6OS and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: AB00680474-01, F2650-0073, N-(3-methylphenyl)-2-{[5-(pyridin-3-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((5-(pyridin-3-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide, N-(3-methylphenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H18N6OS |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 3.49222 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.12628 |
| Heavy Atoms | 28 |
| Complexity | 1075.2961 |
Chemical Identifiers
| CAS Number | 886932-34-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CN=CC=C4 |
Product Overview
AB00680474-01 (CAS 886932-34-9), with molecular formula C20H18N6OS and molecular weight 390.13 g/mol. IUPAC: N-(3-methylphenyl)-2-[(5-pyridin-3-yl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00680474-01
Property Insights of AB00680474-01
The XLogP value of 3.49222 indicates that AB00680474-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680474-01. Following Lipinski's Rule of Five, AB00680474-01 has 1 hydrogen bond donor(s) and 5 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 AB00680474-01?
The CAS number of AB00680474-01 is 886932-34-9.
What is the molecular formula of AB00680474-01?
The molecular formula of AB00680474-01 is C20H18N6OS.
What is the molecular weight of AB00680474-01?
The molecular weight of AB00680474-01 is 390.13 g/mol.
Where can I buy AB00680474-01?
You can request a quote for AB00680474-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680474-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680474-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.