8-氯-6-羟基辛酸乙酯
TL;DR: 8-氯-6-羟基辛酸乙酯 (CAS 1070-65-1) is a chemical compound with molecular formula C10H19ClO3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-氯-6-羟基辛酸乙酯
ethyl 8-chloro-6-hydroxyoctanoate
Also Known As: ethyl 8-chloro-6-hydroxyoctanoate, Thioctic Acid Impurity 8, 8-Chloro-6-hydroxyoctanoic acid ethyl ester, ETHYL 8-CHLORO-6-HYDROXYOCTANATE, ethyl 6-hydroxy-8-chlorooctanoate
| Molecular Formula | C10H19ClO3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 222.10228 |
| Heavy Atoms | 14 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 1070-65-1 |
|---|---|
| SMILES | CCOC(=O)CCCCC(CCCl)O |
| InChIKey | YSFJHUHDLIFMPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-氯-6-羟基辛酸乙酯 (CAS 1070-65-1), with molecular formula C10H19ClO3 and molecular weight 222.10 g/mol. IUPAC: ethyl 8-chloro-6-hydroxyoctanoate.
Chemical Property Profile of 8-氯-6-羟基辛酸乙酯
Property Insights of 8-氯-6-羟基辛酸乙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-氯-6-羟基辛酸乙酯. With a topological polar surface area (TPSA) of 46.5 Ų, 8-氯-6-羟基辛酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-氯-6-羟基辛酸乙酯 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 8-氯-6-羟基辛酸乙酯?
The CAS number of 8-氯-6-羟基辛酸乙酯 is 1070-65-1.
What is the molecular formula of 8-氯-6-羟基辛酸乙酯?
The molecular formula of 8-氯-6-羟基辛酸乙酯 is C10H19ClO3.
What is the molecular weight of 8-氯-6-羟基辛酸乙酯?
The molecular weight of 8-氯-6-羟基辛酸乙酯 is 222.10 g/mol.
Where can I buy 8-氯-6-羟基辛酸乙酯?
You can request a quote for 8-氯-6-羟基辛酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-氯-6-羟基辛酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 8-氯-6-羟基辛酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.