2-羟丙基丁酸酯
TL;DR: 2-羟丙基丁酸酯 (CAS 39556-37-1) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟丙基丁酸酯
2-hydroxypropyl butanoate
Also Known As: 2-Hydroxypropyl butyrate, 2-hydroxypropyl butanoate, Propylene glycol 1-butyrate, propylene glycol monobutyrate, 2-Hydroxypropylbutyrate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 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 | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Density | 0.990-0.998 (20°) |
| Solubility | Slightly soluble in water |
| Refractive Index | 1.422-1.430 |
Chemical Identifiers
| CAS Number | 39556-37-1 |
|---|---|
| SMILES | CCCC(=O)OCC(C)O |
| InChIKey | QXXGFEMAULVMST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟丙基丁酸酯 (CAS 39556-37-1), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: 2-hydroxypropyl butanoate.
Chemical Property Profile of 2-羟丙基丁酸酯
Property Insights of 2-羟丙基丁酸酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟丙基丁酸酯. With a topological polar surface area (TPSA) of 46.5 Ų, 2-羟丙基丁酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-羟丙基丁酸酯 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-羟丙基丁酸酯?
The CAS number of 2-羟丙基丁酸酯 is 39556-37-1.
What is the molecular formula of 2-羟丙基丁酸酯?
The molecular formula of 2-羟丙基丁酸酯 is C7H14O3.
What is the molecular weight of 2-羟丙基丁酸酯?
The molecular weight of 2-羟丙基丁酸酯 is 146.09 g/mol.
Where can I buy 2-羟丙基丁酸酯?
You can request a quote for 2-羟丙基丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟丙基丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-羟丙基丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.