4-(Isopentyloxy)-3-methoxybenzoic acid
TL;DR: 4-(Isopentyloxy)-3-methoxybenzoic acid (CAS 303059-32-7) 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.
3-methoxy-4-(3-methylbutoxy)benzoic acid
Also Known As: 3-methoxy-4-(3-methylbutoxy)benzoic acid, 4-(Isopentyloxy)-3-methoxybenzoic acid, 3-Methoxy-4-(3-methyl-butoxy)-benzoic acid, 4-isopentyloxy-3-methoxy-benzoic acid, AE-641/40198050
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.8183 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 385.0059 |
Chemical Identifiers
| CAS Number | 303059-32-7 |
|---|---|
| SMILES | CC(C)CCOC1=C(C=C(C=C1)C(=O)O)OC |
Product Overview
4-(Isopentyloxy)-3-methoxybenzoic acid (CAS 303059-32-7), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: 3-methoxy-4-(3-methylbutoxy)benzoic acid.
Chemical Property Profile of 4-(Isopentyloxy)-3-methoxybenzoic acid
Property Insights of 4-(Isopentyloxy)-3-methoxybenzoic acid
The XLogP value of 2.8183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Isopentyloxy)-3-methoxybenzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 4-(Isopentyloxy)-3-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Isopentyloxy)-3-methoxybenzoic acid has 1 hydrogen bond donor(s) and 3 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 4-(Isopentyloxy)-3-methoxybenzoic acid?
The CAS number of 4-(Isopentyloxy)-3-methoxybenzoic acid is 303059-32-7.
What is the molecular formula of 4-(Isopentyloxy)-3-methoxybenzoic acid?
The molecular formula of 4-(Isopentyloxy)-3-methoxybenzoic acid is C13H18O4.
What is the molecular weight of 4-(Isopentyloxy)-3-methoxybenzoic acid?
The molecular weight of 4-(Isopentyloxy)-3-methoxybenzoic acid is 238.12 g/mol.
Where can I buy 4-(Isopentyloxy)-3-methoxybenzoic acid?
You can request a quote for 4-(Isopentyloxy)-3-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isopentyloxy)-3-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isopentyloxy)-3-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.