Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate
TL;DR: Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate (CAS 16238-44-1) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate
Also Known As: methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate, 3-Benzyl-2-(benzylimino)tetrahydro-4-oxo-2H-1,3-thiazine-6-carboxylic acid methyl ester, 2H-1,3-Thiazine-6-carboxylic acid, 3-benzyl-2-(benzylimino)tetrahydro-4-oxo-, methyl ester, methyl 3-benzyl-2-(benzylimino)-4-oxo-1,3-thiazinane-6-carboxylate, Methyl (2Z)-3-benzyl-2-(benzylimino)-4-oxo-1,3-thiazinane-6-carboxylate
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 16238-44-1 |
|---|---|
| SMILES | COC(=O)C1CC(=O)N(C(=NCC2=CC=CC=C2)S1)CC3=CC=CC=C3 |
| InChIKey | SUYFPHDIVOJXIB-UHFFFAOYSA-N |
Product Overview
Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate (CAS 16238-44-1), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate.
Chemical Property Profile of Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate
Property Insights of Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate
The XLogP value of 3.4 indicates that Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate. Following Lipinski's Rule of Five, Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate has 0 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 Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate?
The CAS number of Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate is 16238-44-1.
What is the molecular formula of Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate?
The molecular formula of Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate is C20H20N2O3S.
What is the molecular weight of Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate?
The molecular weight of Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate is 368.12 g/mol.
Where can I buy Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate?
You can request a quote for Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-benzyl-2-benzylimino-4-oxo-1,3-thiazinane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.