![2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester structure](/static/products/1009/100957-69-5.webp)
2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester (CAS 100957-69-5) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester, methyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.61278 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 493.872 |
Chemical Identifiers
| CAS Number | 100957-69-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OC |
Product Overview
2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester (CAS 100957-69-5), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: methyl 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester
The XLogP value of 2.61278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester. With a topological polar surface area (TPSA) of 53.33 Ų, 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl 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 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester is 100957-69-5.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester is C15H18N2O2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester is 258.14 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-[4-(diethylamino)phenyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.