4-Methylpentyl benzoate
TL;DR: 4-Methylpentyl benzoate (CAS 6305-92-6) 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.
4-methylpentyl benzoate
Also Known As: 4-methylpentyl benzoate, isohexyl benzoate, Benzoic acid, isohexyl ester, Benzoic acid 4-methylpentyl ester, 1-Pentanol,4-methyl-,1-benzoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 6305-92-6 |
|---|---|
| SMILES | CC(C)CCCOC(=O)C1=CC=CC=C1 |
| InChIKey | UUNAMHRNRUJYDO-UHFFFAOYSA-N |
Product Overview
4-Methylpentyl benzoate (CAS 6305-92-6), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 4-methylpentyl benzoate.
Chemical Property Profile of 4-Methylpentyl benzoate
Property Insights of 4-Methylpentyl benzoate
The XLogP value of 4.6 indicates that 4-Methylpentyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylpentyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpentyl benzoate 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 4-Methylpentyl benzoate?
The CAS number of 4-Methylpentyl benzoate is 6305-92-6.
What is the molecular formula of 4-Methylpentyl benzoate?
The molecular formula of 4-Methylpentyl benzoate is C13H18O2.
What is the molecular weight of 4-Methylpentyl benzoate?
The molecular weight of 4-Methylpentyl benzoate is 206.13 g/mol.
Where can I buy 4-Methylpentyl benzoate?
You can request a quote for 4-Methylpentyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpentyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpentyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.