Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester
TL;DR: Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester (CAS 13074-09-4) is a chemical compound with molecular formula C10H14NO5PS and molecular weight 291.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethyl-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-dimethyl O-(3-ethyl-4-nitrophenyl) ester, (3-ethyl-4-nitrophenoxy)-dimethoxy-sulfanylidene-, O,O-Dimethyl O-(3-ethyl-4-nitrophenyl)phosphorothioate, O-3-ethyl-4-nitrophenyl O,O-dimethyl phosphorothioate, O-(3-Ethyl-4-nitrophenyl) O,O-dimethyl phosphorothioate
| Molecular Formula | C10H14NO5PS |
|---|---|
| Molecular Weight | 291.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.03302 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 13074-09-4 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-] |
| InChIKey | ICSZIVRHPGGLMP-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester (CAS 13074-09-4), with molecular formula C10H14NO5PS and molecular weight 291.03 g/mol. IUPAC: (3-ethyl-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester
Property Insights of Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester
The XLogP value of 3.7 indicates that Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester has 0 hydrogen bond donor(s) and 6 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 Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester?
The CAS number of Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester is 13074-09-4.
What is the molecular formula of Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester is C10H14NO5PS.
What is the molecular weight of Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester is 291.03 g/mol.
Where can I buy Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(3-ethyl-4-nitrophenyl) O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.