Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester
TL;DR: Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester (CAS 63753-05-9) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(2-methylpropyl)phenyl]propanoate
Also Known As: Methyl 3-[4-(2-methylpropyl)phenyl]propanoate, 9,10-Anthracenedione,1-amino-7-chloro, J3.560.523A, Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester, 3-(4-Isobutylphenyl)propanoic acid methyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 2.9907 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 325.0935 |
Chemical Identifiers
| CAS Number | 63753-05-9 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)CCC(=O)OC |
Product Overview
Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester (CAS 63753-05-9), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: methyl 3-[4-(2-methylpropyl)phenyl]propanoate.
Chemical Property Profile of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester
Property Insights of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester
The XLogP value of 2.9907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl 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 Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester?
The CAS number of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester is 63753-05-9.
What is the molecular formula of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester?
The molecular formula of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester is C14H20O2.
What is the molecular weight of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester?
The molecular weight of Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester is 220.15 g/mol.
Where can I buy Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester?
You can request a quote for Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, 4-(2-methylpropyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.