![Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate structure](/static/products/330/33050-30-5.png)
Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate
TL;DR: Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate (CAS 33050-30-5) is a chemical compound with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate
Also Known As: J1.416.500B, (5-Cyano-4-oxo-2-phenyl-3,4-dihydro-2H-[1,3]thiazin-6-ylsulfanyl)-acetic acid methyl ester, methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate, methyl [(5-cyano-4-hydroxy-2-phenyl-2H-1,3-thiazin-6-yl)sulfanyl]acetate, [(2-Phenyl-4-oxo-5-cyano-3,4-dihydro-2H-1,3-thiazine-6-yl)thio]acetic acid methyl ester
| Molecular Formula | C14H12N2O3S2 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 2.18958 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.02893 |
| Heavy Atoms | 21 |
| Complexity | 622.8563 |
Chemical Identifiers
| CAS Number | 33050-30-5 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=O)NC(S1)C2=CC=CC=C2)C#N |
Product Overview
Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate (CAS 33050-30-5), with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol. IUPAC: methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate
Property Insights of Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate
The XLogP value of 2.18958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate 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 Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate?
The CAS number of Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate is 33050-30-5.
What is the molecular formula of Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate?
The molecular formula of Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate is C14H12N2O3S2.
What is the molecular weight of Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate?
The molecular weight of Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate is 320.03 g/mol.
Where can I buy Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate?
You can request a quote for Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(5-cyano-4-oxo-2-phenyl-2,3-dihydro-1,3-thiazin-6-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.