A1496/0065625
TL;DR: A1496/0065625 (CAS 311784-01-7) is a chemical compound with molecular formula C23H20FN3O2S and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: A1496/0065625, 3-(3,4-dimethoxyphenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole, 3-(3,4-dimethoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-(3,4-dimethoxyphenyl)-5-((4-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole, 3-(3,4-DIMETHOXYPHENYL)-5-{[(4-FLUOROPHENYL)METHYL]SULFANYL}-4-PHENYL-4H-1,2,4-TRIAZOLE
| Molecular Formula | C23H20FN3O2S |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 5.3829 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.12604 |
| Heavy Atoms | 30 |
| Complexity | 1131.1608 |
Chemical Identifiers
| CAS Number | 311784-01-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)F)OC |
Product Overview
A1496/0065625 (CAS 311784-01-7), with molecular formula C23H20FN3O2S and molecular weight 421.13 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of A1496/0065625
Property Insights of A1496/0065625
The XLogP value of 5.3829 indicates that A1496/0065625 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, A1496/0065625 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1496/0065625 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1496/0065625?
The CAS number of A1496/0065625 is 311784-01-7.
What is the molecular formula of A1496/0065625?
The molecular formula of A1496/0065625 is C23H20FN3O2S.
What is the molecular weight of A1496/0065625?
The molecular weight of A1496/0065625 is 421.13 g/mol.
Where can I buy A1496/0065625?
You can request a quote for A1496/0065625 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1496/0065625?
Yes, KEHONG BIO provides custom synthesis services for A1496/0065625 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.