2-丙烯酸2-羟丁酯
TL;DR: 2-丙烯酸2-羟丁酯 (CAS 2421-27-4) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丙烯酸2-羟丁酯
2-hydroxybutyl prop-2-enoate
Also Known As: 2-hydroxybutyl prop-2-enoate, 2-hydroxybutyl acrylate, 2-Propenoic acid, 2-hydroxybutyl ester, 1-Acryloyloxy-butan-2-ol, 1,2-Butanediol 1-acrylate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 2421-27-4 |
|---|---|
| SMILES | CCC(COC(=O)C=C)O |
| InChIKey | NJRHMGPRPPEGQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丙烯酸2-羟丁酯 (CAS 2421-27-4), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 2-hydroxybutyl prop-2-enoate.
Chemical Property Profile of 2-丙烯酸2-羟丁酯
Property Insights of 2-丙烯酸2-羟丁酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丙烯酸2-羟丁酯. With a topological polar surface area (TPSA) of 46.5 Ų, 2-丙烯酸2-羟丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丙烯酸2-羟丁酯 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 2-丙烯酸2-羟丁酯?
The CAS number of 2-丙烯酸2-羟丁酯 is 2421-27-4.
What is the molecular formula of 2-丙烯酸2-羟丁酯?
The molecular formula of 2-丙烯酸2-羟丁酯 is C7H12O3.
What is the molecular weight of 2-丙烯酸2-羟丁酯?
The molecular weight of 2-丙烯酸2-羟丁酯 is 144.08 g/mol.
Where can I buy 2-丙烯酸2-羟丁酯?
You can request a quote for 2-丙烯酸2-羟丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丙烯酸2-羟丁酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丙烯酸2-羟丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.