Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester
TL;DR: Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester (CAS 30316-13-3) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-dimethylphenyl)-3-methyl-4-oxobutanoate
Also Known As: 3- butyricacidmethylester, Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester, Methyl 4-(2,5-dimethylphenyl)-3-methyl-4-oxobutanoate, 3-(2,5-Dimethylbenzoyl)butyric acid methyl ester, Methyl 4-(2,5-dimethylphenyl)-3-methyl-4-oxobutanoate #
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 30316-13-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(=O)C(C)CC(=O)OC |
| InChIKey | QEKOOPKDUCYYHF-UHFFFAOYSA-N |
Product Overview
Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester (CAS 30316-13-3), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: methyl 4-(2,5-dimethylphenyl)-3-methyl-4-oxobutanoate.
Chemical Property Profile of Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester
Property Insights of Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl 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 Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester?
The CAS number of Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester is 30316-13-3.
What is the molecular formula of Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester?
The molecular formula of Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester is C14H18O3.
What is the molecular weight of Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester?
The molecular weight of Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester is 234.13 g/mol.
Where can I buy Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester?
You can request a quote for Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 3-(2,5-dimethylbenzoyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.