![Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester structure](/static/products/5464/54644-59-6.webp)
Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester
TL;DR: Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester (CAS 54644-59-6) is a chemical compound with molecular formula C15H12O5 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenoxycarbonyloxybenzoate
Also Known As: Methyl 3-[(phenoxycarbonyl)oxy]benzoate, methyl 3-phenoxycarbonyloxybenzoate, Methyl 3-[(phenoxycarbonyl)oxy]benzoate #, 3-[(Phenyloxycarbonyl)oxy]benzoic acid methyl ester, Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester
| Molecular Formula | C15H12O5 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.06848 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 54644-59-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)OC(=O)OC2=CC=CC=C2 |
| InChIKey | GMHYEIUEMMBMKM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester (CAS 54644-59-6), with molecular formula C15H12O5 and molecular weight 272.07 g/mol. IUPAC: methyl 3-phenoxycarbonyloxybenzoate.
Chemical Property Profile of Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester
Property Insights of Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester
The XLogP value of 3.6 indicates that Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester has 0 hydrogen bond donor(s) and 5 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, 3-[(phenoxycarbonyl)oxy]-, methyl ester?
The CAS number of Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester is 54644-59-6.
What is the molecular formula of Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester?
The molecular formula of Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester is C15H12O5.
What is the molecular weight of Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester?
The molecular weight of Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester is 272.07 g/mol.
Where can I buy Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester?
You can request a quote for Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl 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, 3-[(phenoxycarbonyl)oxy]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-[(phenoxycarbonyl)oxy]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.