3-羟基丙基戊酸乙酯
TL;DR: 3-羟基丙基戊酸乙酯 (CAS 80173-34-8) is a chemical compound with molecular formula CCCC(C(CC)O)C(=O)OCC and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基丙基戊酸乙酯
ethyl 3-hydroxy-2-propylpentanoate
Also Known As: Hppaee, Ethyl 3-hydroxypropylpentanoate, ethyl 3-hydroxy-2-propylpentanoate, ethyl 5-hydroxy-2-propylpentanoate, 3-Hydroxypropylpentanoic acid ethyl ester
| Molecular Formula | CCCC(C(CC)O)C(=O)OCC |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 80173-34-8 |
|---|---|
| SMILES | CCCC(C(CC)O)C(=O)OCC |
| InChIKey | AHTKEBWDQQPPGB-UHFFFAOYSA-N |
Product Overview
3-羟基丙基戊酸乙酯 (CAS 80173-34-8), with molecular formula CCCC(C(CC)O)C(=O)OCC and molecular weight 188.14 g/mol. IUPAC: ethyl 3-hydroxy-2-propylpentanoate.
Chemical Property Profile of 3-羟基丙基戊酸乙酯
Property Insights of 3-羟基丙基戊酸乙酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基丙基戊酸乙酯. With a topological polar surface area (TPSA) of 46.5 Ų, 3-羟基丙基戊酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基丙基戊酸乙酯 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-羟基丙基戊酸乙酯?
The CAS number of 3-羟基丙基戊酸乙酯 is 80173-34-8.
What is the molecular formula of 3-羟基丙基戊酸乙酯?
The molecular formula of 3-羟基丙基戊酸乙酯 is CCCC(C(CC)O)C(=O)OCC.
What is the molecular weight of 3-羟基丙基戊酸乙酯?
The molecular weight of 3-羟基丙基戊酸乙酯 is 188.14 g/mol.
Where can I buy 3-羟基丙基戊酸乙酯?
You can request a quote for 3-羟基丙基戊酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基丙基戊酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基丙基戊酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.