ChemDiv3_012857
TL;DR: ChemDiv3_012857 (CAS 689772-47-2) is a chemical compound with molecular formula C13H13ClN2O3S2 and molecular weight 344.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv3_012857, BRD-K90786518-001-01-3, ethyl 4-amino-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, F6548-4277, ethyl 4-amino-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
| Molecular Formula | C13H13ClN2O3S2 |
|---|---|
| Molecular Weight | 344.01 g/mol |
| LogP | 3.68919 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0056 |
| Heavy Atoms | 21 |
| Complexity | 739.503 |
Chemical Identifiers
| CAS Number | 689772-47-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC(=C(C=C2)OC)Cl)N |
Product Overview
ChemDiv3_012857 (CAS 689772-47-2), with molecular formula C13H13ClN2O3S2 and molecular weight 344.01 g/mol. IUPAC: ethyl 4-amino-3-(3-chloro-4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv3_012857
Property Insights of ChemDiv3_012857
The XLogP value of 3.68919 indicates that ChemDiv3_012857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012857. Following Lipinski's Rule of Five, ChemDiv3_012857 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_012857?
The CAS number of ChemDiv3_012857 is 689772-47-2.
What is the molecular formula of ChemDiv3_012857?
The molecular formula of ChemDiv3_012857 is C13H13ClN2O3S2.
What is the molecular weight of ChemDiv3_012857?
The molecular weight of ChemDiv3_012857 is 344.01 g/mol.
Where can I buy ChemDiv3_012857?
You can request a quote for ChemDiv3_012857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012857?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.