2-氯丙酸2-丁氧基乙酯
TL;DR: 2-氯丙酸2-丁氧基乙酯 (CAS 68797-46-6) is a chemical compound with molecular formula C9H17ClO3 and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯丙酸2-丁氧基乙酯
2-butoxyethyl 2-chloropropanoate
Also Known As: 2-Butoxyethyl 2-chloropropionate, 2-butoxyethyl 2-chloropropanoate, 2-butoxyethyl2-chloropropionate, Propanoic acid, 2-chloro-, 2-butoxyethyl ester, 2-Chloropropanoic acid 2-butoxyethyl ester
| Molecular Formula | C9H17ClO3 |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 208.08662 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 68797-46-6 |
|---|---|
| SMILES | CCCCOCCOC(=O)C(C)Cl |
| InChIKey | XRATVFQSBIVRAJ-UHFFFAOYSA-N |
Product Overview
2-氯丙酸2-丁氧基乙酯 (CAS 68797-46-6), with molecular formula C9H17ClO3 and molecular weight 208.09 g/mol. IUPAC: 2-butoxyethyl 2-chloropropanoate.
Chemical Property Profile of 2-氯丙酸2-丁氧基乙酯
Property Insights of 2-氯丙酸2-丁氧基乙酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯丙酸2-丁氧基乙酯. With a topological polar surface area (TPSA) of 35.5 Ų, 2-氯丙酸2-丁氧基乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯丙酸2-丁氧基乙酯 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-氯丙酸2-丁氧基乙酯?
The CAS number of 2-氯丙酸2-丁氧基乙酯 is 68797-46-6.
What is the molecular formula of 2-氯丙酸2-丁氧基乙酯?
The molecular formula of 2-氯丙酸2-丁氧基乙酯 is C9H17ClO3.
What is the molecular weight of 2-氯丙酸2-丁氧基乙酯?
The molecular weight of 2-氯丙酸2-丁氧基乙酯 is 208.09 g/mol.
Where can I buy 2-氯丙酸2-丁氧基乙酯?
You can request a quote for 2-氯丙酸2-丁氧基乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯丙酸2-丁氧基乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯丙酸2-丁氧基乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.