Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester
TL;DR: Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester (CAS 73309-44-1) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-methylbutyl] 4-hydroxy-3-methoxybenzoate
Also Known As: Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester, [(2R)-2-methylbutyl] 4-hydroxy-3-methoxybenzoate, RefChem:118463
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.6037 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 387.0059 |
Chemical Identifiers
| CAS Number | 73309-44-1 |
|---|---|
| SMILES | CC[C@@H](C)COC(=O)C1=CC(=C(C=C1)O)OC |
Product Overview
Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester (CAS 73309-44-1), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: [(2R)-2-methylbutyl] 4-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester
Property Insights of Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester
The XLogP value of 2.6037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester. With a topological polar surface area (TPSA) of 55.76 Ų, Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester 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 Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester?
The CAS number of Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester is 73309-44-1.
What is the molecular formula of Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester?
The molecular formula of Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester is C13H18O4.
What is the molecular weight of Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester?
The molecular weight of Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester is 238.12 g/mol.
Where can I buy Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester?
You can request a quote for Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl 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-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-hydroxy-3-methoxy-, 2(or 3)-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.