Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester (CAS 101946-09-2) is a chemical compound with molecular formula C12H16O5PS+ and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxysulfanyl-oxo-(2-propan-2-yloxycarbonylphenoxy)phosphanium
Also Known As: Ethoxysulfanyl-oxo-(2-propan-2-yloxycarbonylphenoxy)phosphanium, Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester, (Ethoxysulfanyl)(oxo)(2-{[(propan-2-yl)oxy]carbonyl}phenoxy)phosphanium
| Molecular Formula | C12H16O5PS+ |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 3.9727 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.0456 |
| Heavy Atoms | 19 |
| Complexity | 449.50082 |
Chemical Identifiers
| CAS Number | 101946-09-2 |
|---|---|
| SMILES | CCOS[P+](=O)OC1=CC=CC=C1C(=O)OC(C)C |
Product Overview
Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester (CAS 101946-09-2), with molecular formula C12H16O5PS+ and molecular weight 303.05 g/mol. IUPAC: ethoxysulfanyl-oxo-(2-propan-2-yloxycarbonylphenoxy)phosphanium.
Chemical Property Profile of Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester
The XLogP value of 3.9727 indicates that Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl 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 Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester is 101946-09-2.
What is the molecular formula of Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester is C12H16O5PS+.
What is the molecular weight of Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester is 303.05 g/mol.
Where can I buy Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((ethoxymercaptophosphinyl)oxy)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.