A1156/0054065
TL;DR: A1156/0054065 (CAS 311331-76-7) is a chemical compound with molecular formula C24H22N4O5S and molecular weight 478.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: A1156/0054065, 3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-(3,4-dimethoxyphenyl)-5-((4-methoxy-3-nitrobenzyl)thio)-4-phenyl-4H-1,2,4-triazole, 3-(3,4-dimethoxyphenyl)-5-({3-nitro-4-methoxybenzyl}sulfanyl)-4-phenyl-4H-1,2,4-triazole, 3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C24H22N4O5S |
|---|---|
| Molecular Weight | 478.13 g/mol |
| LogP | 5.1606 |
| Topological Polar Surface Area | 101.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.1311 |
| Heavy Atoms | 34 |
| Complexity | 1310.2236 |
Chemical Identifiers
| CAS Number | 311331-76-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-] |
Product Overview
A1156/0054065 (CAS 311331-76-7), with molecular formula C24H22N4O5S and molecular weight 478.13 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of A1156/0054065
Property Insights of A1156/0054065
The XLogP value of 5.1606 indicates that A1156/0054065 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.54 Ų falls within the moderate polarity range, balancing permeability and solubility for A1156/0054065. Following Lipinski's Rule of Five, A1156/0054065 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1156/0054065?
The CAS number of A1156/0054065 is 311331-76-7.
What is the molecular formula of A1156/0054065?
The molecular formula of A1156/0054065 is C24H22N4O5S.
What is the molecular weight of A1156/0054065?
The molecular weight of A1156/0054065 is 478.13 g/mol.
Where can I buy A1156/0054065?
You can request a quote for A1156/0054065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1156/0054065?
Yes, KEHONG BIO provides custom synthesis services for A1156/0054065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.