RefChem:267208
TL;DR: RefChem:267208 (CAS 93502-34-2) is a chemical compound with molecular formula C15H23N2O6PS2 and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-[[butan-2-ylsulfanyl-[methyl(methylsulfonyl)amino]phosphoryl]-methylamino]-2-oxoacetate
Also Known As: 2-Thia-3,5-diaza-4-phosphaheptan-7-oic acid, 3,5-dimethyl-4-((1-methylpropyl)thio)-6-oxo-, phenyl ester, 2,2,4-trioxide, 2-Thia-3,5-diaza-4-phosphaheptan-7-oic acid, 3,5-dimethyl-4-[(1-methylpropyl)thio]-6-oxo-, phenyl ester, 2,2,4-trioxide, Phenyl [[butan-2-ylsulfanyl-(methyl-methylsulfonyl-amino)phosphoryl]-methyl-carbamoyl]formate, phenyl 2-[[butan-2-ylsulfanyl-[methyl(methylsulfonyl)amino]phosphoryl]-methylamino]-2-oxoacetate, Phenyl 4-[(butan-2-yl)sulfanyl]-3,5-dimethyl-2,2,4,6-tetraoxo-2lambda~6~-thia-3,5-diaza-4lambda~5~-phosphaheptan-7-oate
| Molecular Formula | C15H23N2O6PS2 |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.07352 |
| Heavy Atoms | 26 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 93502-34-2 |
|---|---|
| SMILES | CCC(C)SP(=O)(N(C)C(=O)C(=O)OC1=CC=CC=C1)N(C)S(=O)(=O)C |
| InChIKey | MNSUWPMKZWUWSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:267208 (CAS 93502-34-2), with molecular formula C15H23N2O6PS2 and molecular weight 422.07 g/mol. IUPAC: phenyl 2-[[butan-2-ylsulfanyl-[methyl(methylsulfonyl)amino]phosphoryl]-methylamino]-2-oxoacetate.
Chemical Property Profile of RefChem:267208
Property Insights of RefChem:267208
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:267208. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:267208. Following Lipinski's Rule of Five, RefChem:267208 has 0 hydrogen bond donor(s) and 8 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 RefChem:267208?
The CAS number of RefChem:267208 is 93502-34-2.
What is the molecular formula of RefChem:267208?
The molecular formula of RefChem:267208 is C15H23N2O6PS2.
What is the molecular weight of RefChem:267208?
The molecular weight of RefChem:267208 is 422.07 g/mol.
Where can I buy RefChem:267208?
You can request a quote for RefChem:267208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267208?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.