丁酸2-丁氧基-2-氧乙基酯
TL;DR: 丁酸2-丁氧基-2-氧乙基酯 (CAS 94022-04-5) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸2-丁氧基-2-氧乙基酯
(2-butoxy-2-oxoethyl) butanoate
Also Known As: 2-Butoxy-2-oxoethyl butyrate, Butyl butyrylglycollate, (2-butoxy-2-oxoethyl) butanoate, 2-BUTOXY-2-OXOETHYL BUTANOATE, Butanoic acid, 2-butoxy-2-oxoethyl ester
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 94022-04-5 |
|---|---|
| SMILES | CCCCOC(=O)COC(=O)CCC |
| InChIKey | HPIYZRUOQOGMEY-UHFFFAOYSA-N |
Product Overview
丁酸2-丁氧基-2-氧乙基酯 (CAS 94022-04-5), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: (2-butoxy-2-oxoethyl) butanoate.
Chemical Property Profile of 丁酸2-丁氧基-2-氧乙基酯
Property Insights of 丁酸2-丁氧基-2-氧乙基酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酸2-丁氧基-2-氧乙基酯. With a topological polar surface area (TPSA) of 52.6 Ų, 丁酸2-丁氧基-2-氧乙基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸2-丁氧基-2-氧乙基酯 has 0 hydrogen bond donor(s) and 4 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 丁酸2-丁氧基-2-氧乙基酯?
The CAS number of 丁酸2-丁氧基-2-氧乙基酯 is 94022-04-5.
What is the molecular formula of 丁酸2-丁氧基-2-氧乙基酯?
The molecular formula of 丁酸2-丁氧基-2-氧乙基酯 is C10H18O4.
What is the molecular weight of 丁酸2-丁氧基-2-氧乙基酯?
The molecular weight of 丁酸2-丁氧基-2-氧乙基酯 is 202.12 g/mol.
Where can I buy 丁酸2-丁氧基-2-氧乙基酯?
You can request a quote for 丁酸2-丁氧基-2-氧乙基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸2-丁氧基-2-氧乙基酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸2-丁氧基-2-氧乙基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.