Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate
TL;DR: Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate (CAS 3786-59-2) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-2-hydroxyazulene-1-carboxylate
Also Known As: ethyl 3-cyano-2-hydroxyazulene-1-carboxylate, ETHYL 3-CYANO-2-HYDROXY-AZULENE-1-CARBOXYLATE, J3.553.852F, 3-Cyano-2-hydroxyazulene-1-carboxylic acid ethyl ester
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 3786-59-2 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=CC=CC=C2C(=C1O)C#N |
| InChIKey | VMDVGKVVEKUNRQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate (CAS 3786-59-2), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: ethyl 3-cyano-2-hydroxyazulene-1-carboxylate.
Chemical Property Profile of Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate
Property Insights of Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate
The XLogP value of 3.0 indicates that Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate 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 3-cyano-2-hydroxy-azulene-1-carboxylate?
The CAS number of Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate is 3786-59-2.
What is the molecular formula of Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate?
The molecular formula of Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate is C14H11NO3.
What is the molecular weight of Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate?
The molecular weight of Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate is 241.07 g/mol.
Where can I buy Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate?
You can request a quote for Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.