Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate
TL;DR: Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate (CAS 36743-50-7) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,1-dioxo-3,3-diphenylthiazetidine-2-carboxylate
Also Known As: methyl 1,1-dioxo-3,3-diphenylthiazetidine-2-carboxylate, Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate, RefChem:353182
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 36743-50-7 |
|---|---|
| SMILES | COC(=O)N1C(CS1(=O)=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | ILBMSPDPWGQANY-UHFFFAOYSA-N |
Product Overview
Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate (CAS 36743-50-7), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: methyl 1,1-dioxo-3,3-diphenylthiazetidine-2-carboxylate.
Chemical Property Profile of Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate
Property Insights of Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate?
The CAS number of Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate is 36743-50-7.
What is the molecular formula of Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate?
The molecular formula of Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate is C16H15NO4S.
What is the molecular weight of Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate?
The molecular weight of Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate is 317.07 g/mol.
Where can I buy Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate?
You can request a quote for Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,1-dioxo-3,3-diphenyl-1lambda~6~,2-thiazetidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.