Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester
TL;DR: Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester (CAS 246247-82-5) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methoxy-3-(3-methylbut-2-enoyl)benzoate
Also Known As: Methyl 4-methoxy-3-(3-methylbut-2-enoyl)benzoate, J1.558.733D, Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester, methyl 4-methoxy-3-(3-methyl-2-butenoyl)benzoate, 3-(3-Methyl-2-butenoyl)-4-methoxybenzoic acid methyl ester
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.6307 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 496.5155 |
Chemical Identifiers
| CAS Number | 246247-82-5 |
|---|---|
| SMILES | CC(=CC(=O)C1=C(C=CC(=C1)C(=O)OC)OC)C |
Product Overview
Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester (CAS 246247-82-5), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: methyl 4-methoxy-3-(3-methylbut-2-enoyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester
Property Insights of Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester
The XLogP value of 2.6307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester has 0 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-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester?
The CAS number of Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester is 246247-82-5.
What is the molecular formula of Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester?
The molecular formula of Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester is C14H16O4.
What is the molecular weight of Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester?
The molecular weight of Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester is 248.10 g/mol.
Where can I buy Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester?
You can request a quote for Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, 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-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-methoxy-3-(3-methyl-1-oxo-2-butenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.