A2264/0095363
TL;DR: A2264/0095363 (CAS 298684-52-3) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole
Also Known As: A2264/0095363, 3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole, 3-[(3,4-dimethoxybenzyl)sulfanyl]-4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazole, 3-{[(3,4-DIMETHOXYPHENYL)METHYL]SULFANYL}-4-METHYL-5-(4-NITROPHENYL)-4H-1,2,4-TRIAZOLE
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 3.6998 |
| Topological Polar Surface Area | 92.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 956.49554 |
Chemical Identifiers
| CAS Number | 298684-52-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
A2264/0095363 (CAS 298684-52-3), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methylsulfanyl]-4-methyl-5-(4-nitrophenyl)-1,2,4-triazole.
Chemical Property Profile of A2264/0095363
Property Insights of A2264/0095363
The XLogP value of 3.6998 indicates that A2264/0095363 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.31 Ų falls within the moderate polarity range, balancing permeability and solubility for A2264/0095363. Following Lipinski's Rule of Five, A2264/0095363 has 0 hydrogen bond donor(s) and 7 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 A2264/0095363?
The CAS number of A2264/0095363 is 298684-52-3.
What is the molecular formula of A2264/0095363?
The molecular formula of A2264/0095363 is C18H18N4O4S.
What is the molecular weight of A2264/0095363?
The molecular weight of A2264/0095363 is 386.10 g/mol.
Where can I buy A2264/0095363?
You can request a quote for A2264/0095363 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2264/0095363?
Yes, KEHONG BIO provides custom synthesis services for A2264/0095363 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.