ChemDiv2_008078
TL;DR: ChemDiv2_008078 (CAS 689772-66-5) is a chemical compound with molecular formula C9H12N2O4S2 and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-(2-ethoxy-2-oxoethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv2_008078, IDI1_006793, F0918-6944, methyl 4-amino-3-(2-ethoxy-2-oxoethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate, methyl 4-amino-3-(2-ethoxy-2-oxoethyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate
| Molecular Formula | C9H12N2O4S2 |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 1.21099 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.02383 |
| Heavy Atoms | 17 |
| Complexity | 491.67557 |
Chemical Identifiers
| CAS Number | 689772-66-5 |
|---|---|
| SMILES | CCOC(=O)CN1C(=C(SC1=S)C(=O)OC)N |
Product Overview
ChemDiv2_008078 (CAS 689772-66-5), with molecular formula C9H12N2O4S2 and molecular weight 276.02 g/mol. IUPAC: methyl 4-amino-3-(2-ethoxy-2-oxoethyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ChemDiv2_008078
Property Insights of ChemDiv2_008078
The XLogP value of 1.21099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_008078. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_008078. Following Lipinski's Rule of Five, ChemDiv2_008078 has 1 hydrogen bond donor(s) and 7 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 ChemDiv2_008078?
The CAS number of ChemDiv2_008078 is 689772-66-5.
What is the molecular formula of ChemDiv2_008078?
The molecular formula of ChemDiv2_008078 is C9H12N2O4S2.
What is the molecular weight of ChemDiv2_008078?
The molecular weight of ChemDiv2_008078 is 276.02 g/mol.
Where can I buy ChemDiv2_008078?
You can request a quote for ChemDiv2_008078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_008078?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_008078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.