Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester
TL;DR: Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester (CAS 59241-05-3) is a chemical compound with molecular formula C14H15ClNO2PS and molecular weight 327.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)sulfanyl-ethoxyphosphoryl]aniline
Also Known As: N-[(4-chlorophenyl)sulfanyl-ethoxyphosphoryl]aniline, N-[(4-chlorophenyl)sulfanyl-ethoxy-phosphoryl]aniline, Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester, S-(4-Chlorophenyl) O-ethyl N-phenylphosphoramidothioate
| Molecular Formula | C14H15ClNO2PS |
|---|---|
| Molecular Weight | 327.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.02496 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 59241-05-3 |
|---|---|
| SMILES | CCOP(=O)(NC1=CC=CC=C1)SC2=CC=C(C=C2)Cl |
| InChIKey | XQJAPSGVHCBUCY-UHFFFAOYSA-N |
Product Overview
Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester (CAS 59241-05-3), with molecular formula C14H15ClNO2PS and molecular weight 327.02 g/mol. IUPAC: N-[(4-chlorophenyl)sulfanyl-ethoxyphosphoryl]aniline.
Chemical Property Profile of Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester
Property Insights of Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester
The XLogP value of 4.3 indicates that Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester. Following Lipinski's Rule of Five, Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester has 1 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 Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester?
The CAS number of Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester is 59241-05-3.
What is the molecular formula of Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester?
The molecular formula of Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester is C14H15ClNO2PS.
What is the molecular weight of Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester?
The molecular weight of Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester is 327.02 g/mol.
Where can I buy Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester?
You can request a quote for Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidothioic acid, phenyul-, S-(4-chlorophenyl) O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.