AB00109173-01
TL;DR: AB00109173-01 (CAS 311775-74-3) is a chemical compound with molecular formula C21H19F3N4O2S and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00109173-01, 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C21H19F3N4O2S |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 4.8893 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.11807 |
| Heavy Atoms | 31 |
| Complexity | 1065.2319 |
Chemical Identifiers
| CAS Number | 311775-74-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AB00109173-01 (CAS 311775-74-3), with molecular formula C21H19F3N4O2S and molecular weight 448.12 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00109173-01
Property Insights of AB00109173-01
The XLogP value of 4.8893 indicates that AB00109173-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109173-01. Following Lipinski's Rule of Five, AB00109173-01 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 AB00109173-01?
The CAS number of AB00109173-01 is 311775-74-3.
What is the molecular formula of AB00109173-01?
The molecular formula of AB00109173-01 is C21H19F3N4O2S.
What is the molecular weight of AB00109173-01?
The molecular weight of AB00109173-01 is 448.12 g/mol.
Where can I buy AB00109173-01?
You can request a quote for AB00109173-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109173-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109173-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.