Ethyl 4-cyano-3-hydroxybutanoate
TL;DR: Ethyl 4-cyano-3-hydroxybutanoate (CAS 312745-91-8) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-hydroxybutanoate
Also Known As: ethyl 4-cyano-3-hydroxybutanoate, Ethyl (S)-4-cyano-3-hydroxybutyrate, Ethyl (R)-(-)-4-cyano-3-hydroxybutyate, ethyl 4-cyano-3-hydroxybutyrate, Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.21418 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 161.55885 |
Chemical Identifiers
| CAS Number | 312745-91-8 |
|---|---|
| SMILES | CCOC(=O)CC(CC#N)O |
Product Overview
Ethyl 4-cyano-3-hydroxybutanoate (CAS 312745-91-8), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: ethyl 4-cyano-3-hydroxybutanoate.
Chemical Property Profile of Ethyl 4-cyano-3-hydroxybutanoate
Property Insights of Ethyl 4-cyano-3-hydroxybutanoate
The XLogP value of 0.21418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-cyano-3-hydroxybutanoate. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyano-3-hydroxybutanoate. Following Lipinski's Rule of Five, Ethyl 4-cyano-3-hydroxybutanoate has 1 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 Ethyl 4-cyano-3-hydroxybutanoate?
The CAS number of Ethyl 4-cyano-3-hydroxybutanoate is 312745-91-8.
What is the molecular formula of Ethyl 4-cyano-3-hydroxybutanoate?
The molecular formula of Ethyl 4-cyano-3-hydroxybutanoate is C7H11NO3.
What is the molecular weight of Ethyl 4-cyano-3-hydroxybutanoate?
The molecular weight of Ethyl 4-cyano-3-hydroxybutanoate is 157.07 g/mol.
Where can I buy Ethyl 4-cyano-3-hydroxybutanoate?
You can request a quote for Ethyl 4-cyano-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-cyano-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.