3-Benzyl-3-methylpentanoic acid
TL;DR: 3-Benzyl-3-methylpentanoic acid (CAS 60249-50-5) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-3-methylpentanoic acid
Also Known As: 3-benzyl-3-methylpentanoic acid, 3-Benzyl-3-methylpentanoicacid, 3-benzyl-3-methyl-pentanoic acid, Benzenebutanoic acid, b-ethyl-b-methyl-, 3-methyl-3-(phenylmethyl)pentanoic acid
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 60249-50-5 |
|---|---|
| SMILES | CCC(C)(CC1=CC=CC=C1)CC(=O)O |
| InChIKey | VVENADADKLAPPZ-UHFFFAOYSA-N |
Product Overview
3-Benzyl-3-methylpentanoic acid (CAS 60249-50-5), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 3-benzyl-3-methylpentanoic acid.
Chemical Property Profile of 3-Benzyl-3-methylpentanoic acid
Property Insights of 3-Benzyl-3-methylpentanoic acid
The XLogP value of 3.4 indicates that 3-Benzyl-3-methylpentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Benzyl-3-methylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-3-methylpentanoic acid has 1 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 3-Benzyl-3-methylpentanoic acid?
The CAS number of 3-Benzyl-3-methylpentanoic acid is 60249-50-5.
What is the molecular formula of 3-Benzyl-3-methylpentanoic acid?
The molecular formula of 3-Benzyl-3-methylpentanoic acid is C13H18O2.
What is the molecular weight of 3-Benzyl-3-methylpentanoic acid?
The molecular weight of 3-Benzyl-3-methylpentanoic acid is 206.13 g/mol.
Where can I buy 3-Benzyl-3-methylpentanoic acid?
You can request a quote for 3-Benzyl-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.