A3082/0130369
TL;DR: A3082/0130369 (CAS 539807-76-6) is a chemical compound with molecular formula C25H20Cl2N4O3S and molecular weight 526.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(2,4-dichlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: A3082/0130369, methyl 4-[({[5-(2,4-dichlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-[[2-[[5-(2,4-dichlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, Methyl 4-[[2-[[5-(2,4-dichlorophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate
| Molecular Formula | C25H20Cl2N4O3S |
|---|---|
| Molecular Weight | 526.06 g/mol |
| LogP | 6.06692 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.0633 |
| Heavy Atoms | 35 |
| Complexity | 1389.9849 |
Chemical Identifiers
| CAS Number | 539807-76-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
A3082/0130369 (CAS 539807-76-6), with molecular formula C25H20Cl2N4O3S and molecular weight 526.06 g/mol. IUPAC: methyl 4-[[2-[[5-(2,4-dichlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of A3082/0130369
Property Insights of A3082/0130369
The XLogP value of 6.06692 indicates that A3082/0130369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for A3082/0130369. Following Lipinski's Rule of Five, A3082/0130369 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3082/0130369?
The CAS number of A3082/0130369 is 539807-76-6.
What is the molecular formula of A3082/0130369?
The molecular formula of A3082/0130369 is C25H20Cl2N4O3S.
What is the molecular weight of A3082/0130369?
The molecular weight of A3082/0130369 is 526.06 g/mol.
Where can I buy A3082/0130369?
You can request a quote for A3082/0130369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3082/0130369?
Yes, KEHONG BIO provides custom synthesis services for A3082/0130369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.