ChemDiv1_017286
TL;DR: ChemDiv1_017286 (CAS 312922-28-4) is a chemical compound with molecular formula C13H11F3N2O2S2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv1_017286, ZERO/008121, Ethyl 4-amino-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-amino-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate, Ethyl 4-amino-2-thioxo-3-(3-(trifluoromethyl)phenyl)-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C13H11F3N2O2S2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0214 |
| Heavy Atoms | 22 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 312922-28-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC(=C2)C(F)(F)F)N |
| InChIKey | WQJIGGXTVAAIHW-UHFFFAOYSA-N |
Product Overview
ChemDiv1_017286 (CAS 312922-28-4), with molecular formula C13H11F3N2O2S2 and molecular weight 348.02 g/mol. IUPAC: ethyl 4-amino-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv1_017286
Property Insights of ChemDiv1_017286
The XLogP value of 4.0 indicates that ChemDiv1_017286 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017286. Following Lipinski's Rule of Five, ChemDiv1_017286 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_017286?
The CAS number of ChemDiv1_017286 is 312922-28-4.
What is the molecular formula of ChemDiv1_017286?
The molecular formula of ChemDiv1_017286 is C13H11F3N2O2S2.
What is the molecular weight of ChemDiv1_017286?
The molecular weight of ChemDiv1_017286 is 348.02 g/mol.
Where can I buy ChemDiv1_017286?
You can request a quote for ChemDiv1_017286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017286?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.