2-乙酰基-5-氯戊酸乙酯
TL;DR: 2-乙酰基-5-氯戊酸乙酯 (CAS 99054-01-0) is a chemical compound with molecular formula C9H15ClO3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基-5-氯戊酸乙酯
ethyl 2-acetyl-5-chloropentanoate
Also Known As: Ethyl 7-chloro-3-oxoheptanoate, ethyl 2-acetyl-5-chloropentanoate, Valeric acid, 2-acetyl-5-chloro-, ethyl ester, ethyl 2-(3-chloropropyl)acetoacetate, 2-(3-chloropropyl)-acetoacetic acid ethyl ester
| Molecular Formula | C9H15ClO3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.07097 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 99054-01-0 |
|---|---|
| SMILES | CCOC(=O)C(CCCCl)C(=O)C |
| InChIKey | JFWRVYZVJGHKCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰基-5-氯戊酸乙酯 (CAS 99054-01-0), with molecular formula C9H15ClO3 and molecular weight 206.07 g/mol. IUPAC: ethyl 2-acetyl-5-chloropentanoate.
Chemical Property Profile of 2-乙酰基-5-氯戊酸乙酯
Property Insights of 2-乙酰基-5-氯戊酸乙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰基-5-氯戊酸乙酯. With a topological polar surface area (TPSA) of 43.4 Ų, 2-乙酰基-5-氯戊酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙酰基-5-氯戊酸乙酯 has 0 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-乙酰基-5-氯戊酸乙酯?
The CAS number of 2-乙酰基-5-氯戊酸乙酯 is 99054-01-0.
What is the molecular formula of 2-乙酰基-5-氯戊酸乙酯?
The molecular formula of 2-乙酰基-5-氯戊酸乙酯 is C9H15ClO3.
What is the molecular weight of 2-乙酰基-5-氯戊酸乙酯?
The molecular weight of 2-乙酰基-5-氯戊酸乙酯 is 206.07 g/mol.
Where can I buy 2-乙酰基-5-氯戊酸乙酯?
You can request a quote for 2-乙酰基-5-氯戊酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基-5-氯戊酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基-5-氯戊酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.