ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
TL;DR: ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 689772-39-2) is a chemical compound with molecular formula C13H13ClN2O2S2 and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate, F6548-4275, ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate, Ethyl 4-amino-3-(5-chloro-2-methyl-phenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
| Molecular Formula | C13H13ClN2O2S2 |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 3.98901 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0107 |
| Heavy Atoms | 20 |
| Complexity | 721.6466 |
Chemical Identifiers
| CAS Number | 689772-39-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=C(C=CC(=C2)Cl)C)N |
Product Overview
ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 689772-39-2), with molecular formula C13H13ClN2O2S2 and molecular weight 328.01 g/mol. IUPAC: ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
Property Insights of ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
The XLogP value of 3.98901 indicates that ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.25 Ų, ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate 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 ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate is 689772-39-2.
What is the molecular formula of ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate is C13H13ClN2O2S2.
What is the molecular weight of ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate is 328.01 g/mol.
Where can I buy ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-3-(5-chloro-2-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.