AB00680475-01
TL;DR: AB00680475-01 (CAS 886932-39-4) is a chemical compound with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: AB00680475-01, F2650-0075, 2-{[5-(furan-2-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide, 2-((5-(furan-2-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide, 2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
| Molecular Formula | C19H17N5O2S |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 3.69022 |
| Topological Polar Surface Area | 77.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1103 |
| Heavy Atoms | 27 |
| Complexity | 1038.2017 |
Chemical Identifiers
| CAS Number | 886932-39-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CO4 |
Product Overview
AB00680475-01 (CAS 886932-39-4), with molecular formula C19H17N5O2S and molecular weight 379.11 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB00680475-01
Property Insights of AB00680475-01
The XLogP value of 3.69022 indicates that AB00680475-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00680475-01. Following Lipinski's Rule of Five, AB00680475-01 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 AB00680475-01?
The CAS number of AB00680475-01 is 886932-39-4.
What is the molecular formula of AB00680475-01?
The molecular formula of AB00680475-01 is C19H17N5O2S.
What is the molecular weight of AB00680475-01?
The molecular weight of AB00680475-01 is 379.11 g/mol.
Where can I buy AB00680475-01?
You can request a quote for AB00680475-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680475-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680475-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.