Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester
TL;DR: Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester (CAS 137987-92-9) is a chemical compound with molecular formula C16H14O6 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
Also Known As: methyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate, Methyl 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)benzoate, Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester, methyl p-[(2,4-dihydroxybenzoyl)methoxy]benzoate, BRN 5445189
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.07904 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 137987-92-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O |
| InChIKey | ILFLFDSLJRPWIW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester (CAS 137987-92-9), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: methyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate.
Chemical Property Profile of Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester
Property Insights of Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester
The XLogP value of 3.0 indicates that Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester has 2 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, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester?
The CAS number of Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester is 137987-92-9.
What is the molecular formula of Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester?
The molecular formula of Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester is C16H14O6.
What is the molecular weight of Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester?
The molecular weight of Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester is 302.08 g/mol.
Where can I buy Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester?
You can request a quote for Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, 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, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.