AN-465/41519919
TL;DR: AN-465/41519919 (CAS 665013-56-9) is a chemical compound with molecular formula C17H16ClFN4O2S and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: AN-465/41519919, 4-((3-Chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzyl)amino)-4H-1,2,4-triazole-3-thiol, 4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1H-1,2,4-triazole-5-thione, 4-({3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-4H-1,2,4-triazole-3-thiol, 4-[3-Chloro-4-(4-fluoro-benzyloxy)-5-methoxy-benzylamino]-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C17H16ClFN4O2S |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 4.06449 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.06665 |
| Heavy Atoms | 26 |
| Complexity | 942.6811 |
Chemical Identifiers
| CAS Number | 665013-56-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC3=CC=C(C=C3)F |
Product Overview
AN-465/41519919 (CAS 665013-56-9), with molecular formula C17H16ClFN4O2S and molecular weight 394.07 g/mol. IUPAC: 4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AN-465/41519919
Property Insights of AN-465/41519919
The XLogP value of 4.06449 indicates that AN-465/41519919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41519919. Following Lipinski's Rule of Five, AN-465/41519919 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-465/41519919?
The CAS number of AN-465/41519919 is 665013-56-9.
What is the molecular formula of AN-465/41519919?
The molecular formula of AN-465/41519919 is C17H16ClFN4O2S.
What is the molecular weight of AN-465/41519919?
The molecular weight of AN-465/41519919 is 394.07 g/mol.
Where can I buy AN-465/41519919?
You can request a quote for AN-465/41519919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41519919?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41519919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.