Butan-2-yl pentanoate
TL;DR: Butan-2-yl pentanoate (CAS 23361-74-2) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl pentanoate
Also Known As: butan-2-yl pentanoate, sec-Butyl pentanoate, sec-Butylvaleriat, sec-butyl valerate, Pentanoic acid 1-methylpropyl ester
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 23361-74-2 |
|---|---|
| SMILES | CCCCC(=O)OC(C)CC |
| InChIKey | WKIZFWVLAYCRDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butan-2-yl pentanoate (CAS 23361-74-2), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: butan-2-yl pentanoate.
Chemical Property Profile of Butan-2-yl pentanoate
Property Insights of Butan-2-yl pentanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl pentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Butan-2-yl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl pentanoate 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 Butan-2-yl pentanoate?
The CAS number of Butan-2-yl pentanoate is 23361-74-2.
What is the molecular formula of Butan-2-yl pentanoate?
The molecular formula of Butan-2-yl pentanoate is C9H18O2.
What is the molecular weight of Butan-2-yl pentanoate?
The molecular weight of Butan-2-yl pentanoate is 158.13 g/mol.
Where can I buy Butan-2-yl pentanoate?
You can request a quote for Butan-2-yl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.