A3077/0130115
TL;DR: A3077/0130115 (CAS 539808-67-8) is a chemical compound with molecular formula C25H24N4O3S and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A3077/0130115, N-benzyl-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-Benzyl-2-((4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-benzyl-2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, 644-724-0
| Molecular Formula | C25H24N4O3S |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | 4.2634 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 460.15692 |
| Heavy Atoms | 33 |
| Complexity | 1165.5034 |
Chemical Identifiers
| CAS Number | 539808-67-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)COC4=CC=CC=C4 |
Product Overview
A3077/0130115 (CAS 539808-67-8), with molecular formula C25H24N4O3S and molecular weight 460.16 g/mol. IUPAC: N-benzyl-2-[[4-(4-methoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of A3077/0130115
Property Insights of A3077/0130115
The XLogP value of 4.2634 indicates that A3077/0130115 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 A3077/0130115. Following Lipinski's Rule of Five, A3077/0130115 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 A3077/0130115?
The CAS number of A3077/0130115 is 539808-67-8.
What is the molecular formula of A3077/0130115?
The molecular formula of A3077/0130115 is C25H24N4O3S.
What is the molecular weight of A3077/0130115?
The molecular weight of A3077/0130115 is 460.16 g/mol.
Where can I buy A3077/0130115?
You can request a quote for A3077/0130115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3077/0130115?
Yes, KEHONG BIO provides custom synthesis services for A3077/0130115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.