Pentyl 3-(3-methylbutoxy)butyrate
TL;DR: Pentyl 3-(3-methylbutoxy)butyrate (CAS 94231-94-4) is a chemical compound with molecular formula C14H28O3 and molecular weight 244.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 3-(3-methylbutoxy)butanoate
Also Known As: pentyl3- butyrate, Pentyl 3-(3-methylbutoxy)butyrate, pentyl 3-(3-methylbutoxy)butanoate, EINECS 303-917-7, 3-(3-Methylbutoxy)butanoic acid pentyl ester
| Molecular Formula | C14H28O3 |
|---|---|
| Molecular Weight | 244.20 g/mol |
| LogP | 3.5611 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.20384 |
| Heavy Atoms | 17 |
| Complexity | 189.90634 |
Chemical Identifiers
| CAS Number | 94231-94-4 |
|---|---|
| SMILES | CCCCCOC(=O)CC(C)OCCC(C)C |
Product Overview
Pentyl 3-(3-methylbutoxy)butyrate (CAS 94231-94-4), with molecular formula C14H28O3 and molecular weight 244.20 g/mol. IUPAC: pentyl 3-(3-methylbutoxy)butanoate.
Chemical Property Profile of Pentyl 3-(3-methylbutoxy)butyrate
Property Insights of Pentyl 3-(3-methylbutoxy)butyrate
The XLogP value of 3.5611 indicates that Pentyl 3-(3-methylbutoxy)butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Pentyl 3-(3-methylbutoxy)butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 3-(3-methylbutoxy)butyrate has 0 hydrogen bond donor(s) and 3 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 Pentyl 3-(3-methylbutoxy)butyrate?
The CAS number of Pentyl 3-(3-methylbutoxy)butyrate is 94231-94-4.
What is the molecular formula of Pentyl 3-(3-methylbutoxy)butyrate?
The molecular formula of Pentyl 3-(3-methylbutoxy)butyrate is C14H28O3.
What is the molecular weight of Pentyl 3-(3-methylbutoxy)butyrate?
The molecular weight of Pentyl 3-(3-methylbutoxy)butyrate is 244.20 g/mol.
Where can I buy Pentyl 3-(3-methylbutoxy)butyrate?
You can request a quote for Pentyl 3-(3-methylbutoxy)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 3-(3-methylbutoxy)butyrate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 3-(3-methylbutoxy)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.