A3163/0133833
TL;DR: A3163/0133833 (CAS 497864-60-5) is a chemical compound with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-cyano-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,3-thiazin-6-yl]sulfanyl]acetate
Also Known As: A3163/0133833, ethyl 2-((5-cyano-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl)thio)acetate, [5-Cyano-2-(4-methoxy-phenyl)-4-oxo-3,4-dihydro-2H-[1,3]thiazin-6-ylsulfanyl]-acetic acid ethyl ester, ethyl {[5-cyano-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-6-yl]sulfanyl}acetate, ethyl 2-[[5-cyano-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,3-thiazin-6-yl]sulfanyl]acetate
| Molecular Formula | C16H16N2O4S2 |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 2.58828 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.05515 |
| Heavy Atoms | 24 |
| Complexity | 695.0241 |
Chemical Identifiers
| CAS Number | 497864-60-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(=O)NC(S1)C2=CC=C(C=C2)OC)C#N |
Product Overview
A3163/0133833 (CAS 497864-60-5), with molecular formula C16H16N2O4S2 and molecular weight 364.06 g/mol. IUPAC: ethyl 2-[[5-cyano-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,3-thiazin-6-yl]sulfanyl]acetate.
Chemical Property Profile of A3163/0133833
Property Insights of A3163/0133833
The XLogP value of 2.58828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3163/0133833. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for A3163/0133833. Following Lipinski's Rule of Five, A3163/0133833 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 A3163/0133833?
The CAS number of A3163/0133833 is 497864-60-5.
What is the molecular formula of A3163/0133833?
The molecular formula of A3163/0133833 is C16H16N2O4S2.
What is the molecular weight of A3163/0133833?
The molecular weight of A3163/0133833 is 364.06 g/mol.
Where can I buy A3163/0133833?
You can request a quote for A3163/0133833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3163/0133833?
Yes, KEHONG BIO provides custom synthesis services for A3163/0133833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.