Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester
TL;DR: Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester (CAS 41082-40-0) is a chemical compound with molecular formula C13H19O5PS and molecular weight 318.0691 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzoate
Also Known As: 4-((Ethoxy(propylthio)phosphinyl)oxy)benzoic acid methyl ester, methyl 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzoate, BENZOIC ACID, 4-((ETHOXY(PROPYLTHIO)PHOSPHINYL)OXY)-, METHYL ESTER, METHYL 4-{[ETHOXY(PROPYLSULFANYL)PHOSPHORYL]OXY}BENZOATE
Technical Specifications
| Molecular Formula | C13H19O5PS |
| Molecular Weight | 318.0691 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.0691 Da |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
| SMILES | CCCSP(=O)(OCC)OC1=CC=C(C=C1)C(=O)OC |
| InChIKey | CIZOWECVNWOCKO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester
Property Insights of Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester
The XLogP value of 3.2 indicates that Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl 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
What is the CAS number of Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester?
The CAS number of Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester is 41082-40-0.
What is the molecular formula of Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester?
The molecular formula of Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester is C13H19O5PS.
What is the molecular weight of Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester?
The molecular weight of Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester is 318.0691 g/mol.
Where can I buy Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester?
You can request a quote for Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-((ethoxy(propylthio)phosphinyl)oxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.