1-Carboxyethyl butyrate
TL;DR: 1-Carboxyethyl butyrate (CAS 84681-86-7) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butanoyloxypropanoic acid
Also Known As: 1-Carboxyethyl butyrate, 1-carboxyethylbutyrate, 2-butanoyloxypropanoic acid, 2-butyryloxy-propionic acid, 2-(butyryloxy)propanoic acid
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.8028 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 152.51956 |
Chemical Identifiers
| CAS Number | 84681-86-7 |
|---|---|
| SMILES | CCCC(=O)OC(C)C(=O)O |
Product Overview
1-Carboxyethyl butyrate (CAS 84681-86-7), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2-butanoyloxypropanoic acid.
Chemical Property Profile of 1-Carboxyethyl butyrate
Property Insights of 1-Carboxyethyl butyrate
The XLogP value of 0.8028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carboxyethyl butyrate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carboxyethyl butyrate. Following Lipinski's Rule of Five, 1-Carboxyethyl butyrate 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 1-Carboxyethyl butyrate?
The CAS number of 1-Carboxyethyl butyrate is 84681-86-7.
What is the molecular formula of 1-Carboxyethyl butyrate?
The molecular formula of 1-Carboxyethyl butyrate is C7H12O4.
What is the molecular weight of 1-Carboxyethyl butyrate?
The molecular weight of 1-Carboxyethyl butyrate is 160.07 g/mol.
Where can I buy 1-Carboxyethyl butyrate?
You can request a quote for 1-Carboxyethyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carboxyethyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Carboxyethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.