Ethyl 4-isocyanatobutyrate
TL;DR: Ethyl 4-isocyanatobutyrate (CAS 106508-62-7) 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-isocyanatobutanoate
Also Known As: Ethyl 4-isocyanatobutanoate, Ethyl 4-isocyanatobutyrate, Ethyl4-isocyanatobutanoate, ethyl-4-isocyanatobutyrate, Ethyl 4-isocyanatobutyrate, 97%
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.6655 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 161.06862 |
Chemical Identifiers
| CAS Number | 106508-62-7 |
|---|---|
| SMILES | CCOC(=O)CCCN=C=O |
Product Overview
Ethyl 4-isocyanatobutyrate (CAS 106508-62-7), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: ethyl 4-isocyanatobutanoate.
Chemical Property Profile of Ethyl 4-isocyanatobutyrate
Property Insights of Ethyl 4-isocyanatobutyrate
The XLogP value of 0.6655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-isocyanatobutyrate. With a topological polar surface area (TPSA) of 55.73 Ų, Ethyl 4-isocyanatobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-isocyanatobutyrate 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 Ethyl 4-isocyanatobutyrate?
The CAS number of Ethyl 4-isocyanatobutyrate is 106508-62-7.
What is the molecular formula of Ethyl 4-isocyanatobutyrate?
The molecular formula of Ethyl 4-isocyanatobutyrate is C7H11NO3.
What is the molecular weight of Ethyl 4-isocyanatobutyrate?
The molecular weight of Ethyl 4-isocyanatobutyrate is 157.07 g/mol.
Where can I buy Ethyl 4-isocyanatobutyrate?
You can request a quote for Ethyl 4-isocyanatobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-isocyanatobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-isocyanatobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.