Butyl 3-hydroxy-2-methylidenebutanoate
TL;DR: Butyl 3-hydroxy-2-methylidenebutanoate (CAS 22141-40-8) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-hydroxy-2-methylidenebutanoate
Also Known As: butyl 3-hydroxy-2-methylidenebutanoate, Butyl 3-hydroxy-2-methylene-butanoate, Butyl 2-(1-hydroxyethyl)acrylate #, butyl 3-hydroxy-2-methylenebutanoate, 3-Hydroxy-2-methylenebutanoicacidbutylester
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 22141-40-8 |
|---|---|
| SMILES | CCCCOC(=O)C(=C)C(C)O |
| InChIKey | BGBNIHUXOLZWIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 3-hydroxy-2-methylidenebutanoate (CAS 22141-40-8), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: butyl 3-hydroxy-2-methylidenebutanoate.
Chemical Property Profile of Butyl 3-hydroxy-2-methylidenebutanoate
Property Insights of Butyl 3-hydroxy-2-methylidenebutanoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-hydroxy-2-methylidenebutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Butyl 3-hydroxy-2-methylidenebutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-hydroxy-2-methylidenebutanoate has 1 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-hydroxy-2-methylidenebutanoate?
The CAS number of Butyl 3-hydroxy-2-methylidenebutanoate is 22141-40-8.
What is the molecular formula of Butyl 3-hydroxy-2-methylidenebutanoate?
The molecular formula of Butyl 3-hydroxy-2-methylidenebutanoate is C9H16O3.
What is the molecular weight of Butyl 3-hydroxy-2-methylidenebutanoate?
The molecular weight of Butyl 3-hydroxy-2-methylidenebutanoate is 172.11 g/mol.
Where can I buy Butyl 3-hydroxy-2-methylidenebutanoate?
You can request a quote for Butyl 3-hydroxy-2-methylidenebutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-hydroxy-2-methylidenebutanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-hydroxy-2-methylidenebutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.