AN-465/41520012
TL;DR: AN-465/41520012 (CAS 665013-58-1) is a chemical compound with molecular formula C18H18ClFN4O2S and molecular weight 408.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: AN-465/41520012, 4-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione, 4-({3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazole-3-thiol, 4-({3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzyl}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C18H18ClFN4O2S |
|---|---|
| Molecular Weight | 408.08 g/mol |
| LogP | 4.45459 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.0823 |
| Heavy Atoms | 27 |
| Complexity | 975.99066 |
Chemical Identifiers
| CAS Number | 665013-58-1 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC3=CC=CC=C3F |
Product Overview
AN-465/41520012 (CAS 665013-58-1), with molecular formula C18H18ClFN4O2S and molecular weight 408.08 g/mol. IUPAC: 4-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of AN-465/41520012
Property Insights of AN-465/41520012
The XLogP value of 4.45459 indicates that AN-465/41520012 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-465/41520012. Following Lipinski's Rule of Five, AN-465/41520012 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-465/41520012?
The CAS number of AN-465/41520012 is 665013-58-1.
What is the molecular formula of AN-465/41520012?
The molecular formula of AN-465/41520012 is C18H18ClFN4O2S.
What is the molecular weight of AN-465/41520012?
The molecular weight of AN-465/41520012 is 408.08 g/mol.
Where can I buy AN-465/41520012?
You can request a quote for AN-465/41520012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41520012?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41520012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.