3-Methylpentyl butyrate
TL;DR: 3-Methylpentyl butyrate (CAS 84254-83-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpentyl butanoate
Also Known As: 3-Methylpentyl butyrate, 3-methylpentyl butanoate, 3-methylpentylbutyrate, 3-methyl pentyl butyrate, EINECS 282-528-3
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.7659 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.00699 |
Chemical Identifiers
| CAS Number | 84254-83-1 |
|---|---|
| SMILES | CCCC(=O)OCCC(C)CC |
Product Overview
3-Methylpentyl butyrate (CAS 84254-83-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 3-methylpentyl butanoate.
Chemical Property Profile of 3-Methylpentyl butyrate
Property Insights of 3-Methylpentyl butyrate
The XLogP value of 2.7659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylpentyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylpentyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpentyl butyrate 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 3-Methylpentyl butyrate?
The CAS number of 3-Methylpentyl butyrate is 84254-83-1.
What is the molecular formula of 3-Methylpentyl butyrate?
The molecular formula of 3-Methylpentyl butyrate is C10H20O2.
What is the molecular weight of 3-Methylpentyl butyrate?
The molecular weight of 3-Methylpentyl butyrate is 172.15 g/mol.
Where can I buy 3-Methylpentyl butyrate?
You can request a quote for 3-Methylpentyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylpentyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylpentyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.