Acetic acid, cyano(ethoxyethylidene)-, ethyl ester
TL;DR: Acetic acid, cyano(ethoxyethylidene)-, ethyl ester (CAS 49765-05-1) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-cyano-3-ethoxybut-2-enoate
Also Known As: USAF KF-6, Ethyl ethoxyethylidene cyanoacetate, ethyl (Z)-2-cyano-3-ethoxybut-2-enoate, ethyl 2-cyano-3-ethoxycrotonate, 2-Butenoic acid, ethyl ester
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 1.38358 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 250.07565 |
Chemical Identifiers
| CAS Number | 49765-05-1 |
|---|---|
| SMILES | CCO/C(=C(/C#N)\C(=O)OCC)/C |
Product Overview
Acetic acid, cyano(ethoxyethylidene)-, ethyl ester (CAS 49765-05-1), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: ethyl (Z)-2-cyano-3-ethoxybut-2-enoate.
Chemical Property Profile of Acetic acid, cyano(ethoxyethylidene)-, ethyl ester
Property Insights of Acetic acid, cyano(ethoxyethylidene)-, ethyl ester
The XLogP value of 1.38358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, cyano(ethoxyethylidene)-, ethyl ester. With a topological polar surface area (TPSA) of 59.32 Ų, Acetic acid, cyano(ethoxyethylidene)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, cyano(ethoxyethylidene)-, ethyl ester 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 Acetic acid, cyano(ethoxyethylidene)-, ethyl ester?
The CAS number of Acetic acid, cyano(ethoxyethylidene)-, ethyl ester is 49765-05-1.
What is the molecular formula of Acetic acid, cyano(ethoxyethylidene)-, ethyl ester?
The molecular formula of Acetic acid, cyano(ethoxyethylidene)-, ethyl ester is C9H13NO3.
What is the molecular weight of Acetic acid, cyano(ethoxyethylidene)-, ethyl ester?
The molecular weight of Acetic acid, cyano(ethoxyethylidene)-, ethyl ester is 183.09 g/mol.
Where can I buy Acetic acid, cyano(ethoxyethylidene)-, ethyl ester?
You can request a quote for Acetic acid, cyano(ethoxyethylidene)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, cyano(ethoxyethylidene)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, cyano(ethoxyethylidene)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.