ChemDiv1_014178
TL;DR: ChemDiv1_014178 (CAS 389073-59-0) is a chemical compound with molecular formula C16H10ClF3N4O2S3 and molecular weight 477.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
Also Known As: ChemDiv1_014178, F0509-3985, N-{5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, N-(5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide, N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
| Molecular Formula | C16H10ClF3N4O2S3 |
|---|---|
| Molecular Weight | 477.96 g/mol |
| LogP | 5.2549 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.96066 |
| Heavy Atoms | 29 |
| Complexity | 1024.844 |
Chemical Identifiers
| CAS Number | 389073-59-0 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
ChemDiv1_014178 (CAS 389073-59-0), with molecular formula C16H10ClF3N4O2S3 and molecular weight 477.96 g/mol. IUPAC: N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_014178
Property Insights of ChemDiv1_014178
The XLogP value of 5.2549 indicates that ChemDiv1_014178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014178. Following Lipinski's Rule of Five, ChemDiv1_014178 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014178?
The CAS number of ChemDiv1_014178 is 389073-59-0.
What is the molecular formula of ChemDiv1_014178?
The molecular formula of ChemDiv1_014178 is C16H10ClF3N4O2S3.
What is the molecular weight of ChemDiv1_014178?
The molecular weight of ChemDiv1_014178 is 477.96 g/mol.
Where can I buy ChemDiv1_014178?
You can request a quote for ChemDiv1_014178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014178?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.