A2085/0087654
TL;DR: A2085/0087654 (CAS 330955-75-4) is a chemical compound with molecular formula C11H10ClFN4OS and molecular weight 300.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: A2085/0087654, N-(4-chloro-2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-CHLORO-2-FLUOROPHENYL)-2-((4-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE, N-(4-chloro-2-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-chloro-2-fluorophenyl)-2-(4-methyl(1,2,4-triazol-3-ylthio))acetamide
| Molecular Formula | C11H10ClFN4OS |
|---|---|
| Molecular Weight | 300.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.02478 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 330955-75-4 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)F |
| InChIKey | SSZFMPHYUUQRTL-UHFFFAOYSA-N |
Product Overview
A2085/0087654 (CAS 330955-75-4), with molecular formula C11H10ClFN4OS and molecular weight 300.02 g/mol. IUPAC: N-(4-chloro-2-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of A2085/0087654
Property Insights of A2085/0087654
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2085/0087654. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for A2085/0087654. Following Lipinski's Rule of Five, A2085/0087654 has 1 hydrogen bond donor(s) and 5 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 A2085/0087654?
The CAS number of A2085/0087654 is 330955-75-4.
What is the molecular formula of A2085/0087654?
The molecular formula of A2085/0087654 is C11H10ClFN4OS.
What is the molecular weight of A2085/0087654?
The molecular weight of A2085/0087654 is 300.02 g/mol.
Where can I buy A2085/0087654?
You can request a quote for A2085/0087654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2085/0087654?
Yes, KEHONG BIO provides custom synthesis services for A2085/0087654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.