Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
TL;DR: Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester (CAS 69844-33-3) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) 3-methylbutanoate
Also Known As: Thymyl isovalerate, thymylisovalerate, 5-methyl-2- phenylisovalerate, 5-Methyl-2-(isopropyl)phenyl isovalerate, 5-methyl-2-(propan-2-yl)phenyl 3-methylbutanoate
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 69844-33-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)CC(C)C |
| InChIKey | NZIACPHCVAFJBR-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester (CAS 69844-33-3), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
Property Insights of Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
The XLogP value of 4.3 indicates that Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester has 0 hydrogen bond donor(s) and 2 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 Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester?
The CAS number of Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester is 69844-33-3.
What is the molecular formula of Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester?
The molecular formula of Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester is C15H22O2.
What is the molecular weight of Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester?
The molecular weight of Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester is 234.16 g/mol.
Where can I buy Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester?
You can request a quote for Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.