ChemDiv1_017416
TL;DR: ChemDiv1_017416 (CAS 312928-65-7) is a chemical compound with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv1_017416, ZERO/008123, ethyl 4-amino-3-(2,6-dimethylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-amino-3-(2,6-dimethylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-amino-3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
| Molecular Formula | C14H16N2O2S2 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0653 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 312928-65-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=C(C=CC=C2C)C)N |
| InChIKey | XNUXCOWFAZZTNQ-UHFFFAOYSA-N |
Product Overview
ChemDiv1_017416 (CAS 312928-65-7), with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol. IUPAC: ethyl 4-amino-3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv1_017416
Property Insights of ChemDiv1_017416
The XLogP value of 3.8 indicates that ChemDiv1_017416 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_017416. Following Lipinski's Rule of Five, ChemDiv1_017416 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 ChemDiv1_017416?
The CAS number of ChemDiv1_017416 is 312928-65-7.
What is the molecular formula of ChemDiv1_017416?
The molecular formula of ChemDiv1_017416 is C14H16N2O2S2.
What is the molecular weight of ChemDiv1_017416?
The molecular weight of ChemDiv1_017416 is 308.07 g/mol.
Where can I buy ChemDiv1_017416?
You can request a quote for ChemDiv1_017416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017416?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.