3-羟基丁酸2-庚酯
TL;DR: 3-羟基丁酸2-庚酯 (CAS 30956-43-5) 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.
3-羟基丁酸2-庚酯
heptan-2-yl 3-hydroxybutanoate
Also Known As: heptan-2-yl 3-hydroxybutanoate, 1-Methylhexyl beta-oxybutyrate, 3-Hydroxybutyric acid, 2-heptyl ester, BUTYRIC ACID, 3-HYDROXY-, 2-HEPTYL ESTER, 3-Hydroxybutyric acid 1-methylhexyl ester
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 30956-43-5 |
|---|---|
| SMILES | CCCCCC(C)OC(=O)CC(C)O |
| InChIKey | SLFCZFVUICPREE-UHFFFAOYSA-N |
Product Overview
3-羟基丁酸2-庚酯 (CAS 30956-43-5), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: heptan-2-yl 3-hydroxybutanoate.
Chemical Property Profile of 3-羟基丁酸2-庚酯
Property Insights of 3-羟基丁酸2-庚酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基丁酸2-庚酯. With a topological polar surface area (TPSA) of 46.5 Ų, 3-羟基丁酸2-庚酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基丁酸2-庚酯 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 3-羟基丁酸2-庚酯?
The CAS number of 3-羟基丁酸2-庚酯 is 30956-43-5.
What is the molecular formula of 3-羟基丁酸2-庚酯?
The molecular formula of 3-羟基丁酸2-庚酯 is C11H22O3.
What is the molecular weight of 3-羟基丁酸2-庚酯?
The molecular weight of 3-羟基丁酸2-庚酯 is 202.16 g/mol.
Where can I buy 3-羟基丁酸2-庚酯?
You can request a quote for 3-羟基丁酸2-庚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基丁酸2-庚酯?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基丁酸2-庚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.