Butyl 3-butoxypropanoate
TL;DR: Butyl 3-butoxypropanoate (CAS 14144-48-0) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-butoxypropanoate
Also Known As: butyl 3-butoxypropanoate, butyl3-butoxypropanoate, Propanoic acid, 3-butoxy-, butyl ester, butyl-beta-butoxy propionate, Propanoic acid,3-butoxy-, butyl ester
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 14144-48-0 |
|---|---|
| SMILES | CCCCOCCC(=O)OCCCC |
| InChIKey | BMOACRKLCOIODC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 3-butoxypropanoate (CAS 14144-48-0), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: butyl 3-butoxypropanoate.
Chemical Property Profile of Butyl 3-butoxypropanoate
Property Insights of Butyl 3-butoxypropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-butoxypropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Butyl 3-butoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-butoxypropanoate 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 Butyl 3-butoxypropanoate?
The CAS number of Butyl 3-butoxypropanoate is 14144-48-0.
What is the molecular formula of Butyl 3-butoxypropanoate?
The molecular formula of Butyl 3-butoxypropanoate is C11H22O3.
What is the molecular weight of Butyl 3-butoxypropanoate?
The molecular weight of Butyl 3-butoxypropanoate is 202.16 g/mol.
Where can I buy Butyl 3-butoxypropanoate?
You can request a quote for Butyl 3-butoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-butoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-butoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.