Benzoic acid, 3-methoxy-, butyl ester
TL;DR: Benzoic acid, 3-methoxy-, butyl ester (CAS 77201-18-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-methoxybenzoate
Also Known As: Butyl 3-methoxybenzoate, n-butyl 3-methoxybenzoate, Benzoic acid, 3-methoxy-, butyl ester, 3-Methoxybenzoic acid butyl ester, J1.579.511E
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.6521 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 320.3982 |
Chemical Identifiers
| CAS Number | 77201-18-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=CC=C1)OC |
Product Overview
Benzoic acid, 3-methoxy-, butyl ester (CAS 77201-18-4), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: butyl 3-methoxybenzoate.
Chemical Property Profile of Benzoic acid, 3-methoxy-, butyl ester
Property Insights of Benzoic acid, 3-methoxy-, butyl ester
The XLogP value of 2.6521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-methoxy-, butyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, Benzoic acid, 3-methoxy-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-methoxy-, butyl ester has 0 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 Benzoic acid, 3-methoxy-, butyl ester?
The CAS number of Benzoic acid, 3-methoxy-, butyl ester is 77201-18-4.
What is the molecular formula of Benzoic acid, 3-methoxy-, butyl ester?
The molecular formula of Benzoic acid, 3-methoxy-, butyl ester is C12H16O3.
What is the molecular weight of Benzoic acid, 3-methoxy-, butyl ester?
The molecular weight of Benzoic acid, 3-methoxy-, butyl ester is 208.11 g/mol.
Where can I buy Benzoic acid, 3-methoxy-, butyl ester?
You can request a quote for Benzoic acid, 3-methoxy-, butyl 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-methoxy-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-methoxy-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.