AN-919/40843053
TL;DR: AN-919/40843053 (CAS 488088-81-9) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyphenyl)-3-(3-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: AN-919/40843053, 3-[4-(2,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol, 4-(2,5-dimethoxyphenyl)-5-(3-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2,5-dimethoxyphenyl)-3-(3-hydroxyphenyl)-1H-1,2,4-triazole-5-thione, 4-(2,5-dimethoxyphenyl)-3-(3-hydroxyphenyl)-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.31969 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 901.5813 |
Chemical Identifiers
| CAS Number | 488088-81-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=CC=C3)O |
Product Overview
AN-919/40843053 (CAS 488088-81-9), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: 4-(2,5-dimethoxyphenyl)-3-(3-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AN-919/40843053
Property Insights of AN-919/40843053
The XLogP value of 3.31969 indicates that AN-919/40843053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-919/40843053. Following Lipinski's Rule of Five, AN-919/40843053 has 2 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 AN-919/40843053?
The CAS number of AN-919/40843053 is 488088-81-9.
What is the molecular formula of AN-919/40843053?
The molecular formula of AN-919/40843053 is C16H15N3O3S.
What is the molecular weight of AN-919/40843053?
The molecular weight of AN-919/40843053 is 329.08 g/mol.
Where can I buy AN-919/40843053?
You can request a quote for AN-919/40843053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-919/40843053?
Yes, KEHONG BIO provides custom synthesis services for AN-919/40843053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.