RefChem:1095471
TL;DR: RefChem:1095471 (CAS 22941-81-7) is a chemical compound with molecular formula C13H19N2O5PS and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(3-diethoxyphosphinothioyloxyphenyl)methylideneamino] N-methylcarbamate
Also Known As: 3-(O-(O,O-Diethylphosphorothioyl))benzaldoximino-N-methylcarbamate, Phosphorothioic acid, O,O-diethyl O-(3-(((((methylamino)carbonyl)oxy)imino)methyl)phenyl)ester, RefChem:1095471
| Molecular Formula | C13H19N2O5PS |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 3.0528 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.07523 |
| Heavy Atoms | 22 |
| Complexity | 557.11633 |
Chemical Identifiers
| CAS Number | 22941-81-7 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CC=CC(=C1)/C=N/OC(=O)NC |
Product Overview
RefChem:1095471 (CAS 22941-81-7), with molecular formula C13H19N2O5PS and molecular weight 346.08 g/mol. IUPAC: [(E)-(3-diethoxyphosphinothioyloxyphenyl)methylideneamino] N-methylcarbamate.
Chemical Property Profile of RefChem:1095471
Property Insights of RefChem:1095471
The XLogP value of 3.0528 indicates that RefChem:1095471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095471. Following Lipinski's Rule of Five, RefChem:1095471 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:1095471?
The CAS number of RefChem:1095471 is 22941-81-7.
What is the molecular formula of RefChem:1095471?
The molecular formula of RefChem:1095471 is C13H19N2O5PS.
What is the molecular weight of RefChem:1095471?
The molecular weight of RefChem:1095471 is 346.08 g/mol.
Where can I buy RefChem:1095471?
You can request a quote for RefChem:1095471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095471?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.