A3077/0130114
TL;DR: A3077/0130114 (CAS 539808-69-0) is a chemical compound with molecular formula C24H22N4O3S and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: A3077/0130114, 2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide, 2-((4-(4-Methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, 2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, 2-((4-(4-Methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-phenylacetamide
| Molecular Formula | C24H22N4O3S |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 4.5857 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.14127 |
| Heavy Atoms | 32 |
| Complexity | 1149.105 |
Chemical Identifiers
| CAS Number | 539808-69-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4 |
Product Overview
A3077/0130114 (CAS 539808-69-0), with molecular formula C24H22N4O3S and molecular weight 446.14 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of A3077/0130114
Property Insights of A3077/0130114
The XLogP value of 4.5857 indicates that A3077/0130114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A3077/0130114. Following Lipinski's Rule of Five, A3077/0130114 has 1 hydrogen bond donor(s) and 6 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 A3077/0130114?
The CAS number of A3077/0130114 is 539808-69-0.
What is the molecular formula of A3077/0130114?
The molecular formula of A3077/0130114 is C24H22N4O3S.
What is the molecular weight of A3077/0130114?
The molecular weight of A3077/0130114 is 446.14 g/mol.
Where can I buy A3077/0130114?
You can request a quote for A3077/0130114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3077/0130114?
Yes, KEHONG BIO provides custom synthesis services for A3077/0130114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.