RefChem:370750
TL;DR: RefChem:370750 (CAS 21988-54-5) is a chemical compound with molecular formula C13H23NO5P2S and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-diethoxyphosphoryl-2-[methoxy(phenyl)phosphoryl]sulfanylethanamine
Also Known As: 4-cyano-2-fluorobenzyl alcohol, O-Methyl S-(O',O'-diethylphosphoramido)ethyl phenylphosphonothioate, s-{2-[(diethoxyphosphoryl)amino]ethyl} o-methyl phenylphosphonothioate, Phosphonothioic acid, phenyl-, O-methyl S-(O',O'-diethylphosphoramido)ethyl ester, diethyl (2-((methoxy(phenyl)phosphoryl)thio)ethyl)phosphoramidate
| Molecular Formula | C13H23NO5P2S |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 367.0772 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 21988-54-5 |
|---|---|
| SMILES | CCOP(=O)(NCCSP(=O)(C1=CC=CC=C1)OC)OCC |
| InChIKey | AEKIKDHIRXZBAA-UHFFFAOYSA-N |
Product Overview
RefChem:370750 (CAS 21988-54-5), with molecular formula C13H23NO5P2S and molecular weight 367.08 g/mol. IUPAC: N-diethoxyphosphoryl-2-[methoxy(phenyl)phosphoryl]sulfanylethanamine.
Chemical Property Profile of RefChem:370750
Property Insights of RefChem:370750
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:370750. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:370750. Following Lipinski's Rule of Five, RefChem:370750 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 RefChem:370750?
The CAS number of RefChem:370750 is 21988-54-5.
What is the molecular formula of RefChem:370750?
The molecular formula of RefChem:370750 is C13H23NO5P2S.
What is the molecular weight of RefChem:370750?
The molecular weight of RefChem:370750 is 367.08 g/mol.
Where can I buy RefChem:370750?
You can request a quote for RefChem:370750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:370750?
Yes, KEHONG BIO provides custom synthesis services for RefChem:370750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.