![3-[(Diethoxyphosphinyl)methyl]benzoic acid structure](/static/products/2814/28149-49-7.webp)
3-[(Diethoxyphosphinyl)methyl]benzoic acid
TL;DR: 3-[(Diethoxyphosphinyl)methyl]benzoic acid (CAS 28149-49-7) is a chemical compound with molecular formula C12H17O5P and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethoxyphosphorylmethyl)benzoic acid
Also Known As: 3-[(diethoxyphosphoryl)methyl]benzoic acid, 3-[(Diethoxyphosphinyl)methyl]benzoic acid, 3-(diethoxyphosphorylmethyl)benzoic acid, 3-[(diethoxycarbonyl)methyl]benzoic acid, 3,5-(diethoxyphosphorylmethyl)benzoic acid
| Molecular Formula | C12H17O5P |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.1509 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.08136 |
| Heavy Atoms | 18 |
| Complexity | 447.53592 |
Chemical Identifiers
| CAS Number | 28149-49-7 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC(=CC=C1)C(=O)O)OCC |
Product Overview
3-[(Diethoxyphosphinyl)methyl]benzoic acid (CAS 28149-49-7), with molecular formula C12H17O5P and molecular weight 272.08 g/mol. IUPAC: 3-(diethoxyphosphorylmethyl)benzoic acid.
Chemical Property Profile of 3-[(Diethoxyphosphinyl)methyl]benzoic acid
Property Insights of 3-[(Diethoxyphosphinyl)methyl]benzoic acid
The XLogP value of 3.1509 indicates that 3-[(Diethoxyphosphinyl)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Diethoxyphosphinyl)methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[(Diethoxyphosphinyl)methyl]benzoic acid 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 3-[(Diethoxyphosphinyl)methyl]benzoic acid?
The CAS number of 3-[(Diethoxyphosphinyl)methyl]benzoic acid is 28149-49-7.
What is the molecular formula of 3-[(Diethoxyphosphinyl)methyl]benzoic acid?
The molecular formula of 3-[(Diethoxyphosphinyl)methyl]benzoic acid is C12H17O5P.
What is the molecular weight of 3-[(Diethoxyphosphinyl)methyl]benzoic acid?
The molecular weight of 3-[(Diethoxyphosphinyl)methyl]benzoic acid is 272.08 g/mol.
Where can I buy 3-[(Diethoxyphosphinyl)methyl]benzoic acid?
You can request a quote for 3-[(Diethoxyphosphinyl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Diethoxyphosphinyl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Diethoxyphosphinyl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.