A4093/0174531
TL;DR: A4093/0174531 (CAS 893766-82-0) is a chemical compound with molecular formula C28H31N3O7S and molecular weight 553.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: A4093/0174531, 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole, 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxybenzyl)sulfanyl]-4H-1,2,4-triazole, 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxybenzyl)thio]-4H-1,2,4-triazole, 3,4-BIS(3,4-DIMETHOXYPHENYL)-5-{[(3,4,5-TRIMETHOXYPHENYL)METHYL]SULFANYL}-4H-1,2,4-TRIAZOLE
| Molecular Formula | C28H31N3O7S |
|---|---|
| Molecular Weight | 553.19 g/mol |
| LogP | 5.2868 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 553.1883 |
| Heavy Atoms | 39 |
| Complexity | 1415.9216 |
Chemical Identifiers
| CAS Number | 893766-82-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)OC)SCC4=CC(=C(C(=C4)OC)OC)OC)OC |
Product Overview
A4093/0174531 (CAS 893766-82-0), with molecular formula C28H31N3O7S and molecular weight 553.19 g/mol. IUPAC: 3,4-bis(3,4-dimethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of A4093/0174531
Property Insights of A4093/0174531
The XLogP value of 5.2868 indicates that A4093/0174531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.32 Ų falls within the moderate polarity range, balancing permeability and solubility for A4093/0174531. Following Lipinski's Rule of Five, A4093/0174531 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4093/0174531?
The CAS number of A4093/0174531 is 893766-82-0.
What is the molecular formula of A4093/0174531?
The molecular formula of A4093/0174531 is C28H31N3O7S.
What is the molecular weight of A4093/0174531?
The molecular weight of A4093/0174531 is 553.19 g/mol.
Where can I buy A4093/0174531?
You can request a quote for A4093/0174531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4093/0174531?
Yes, KEHONG BIO provides custom synthesis services for A4093/0174531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.