![2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester structure](/static/products/688/688804-24-2.png)
2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester
TL;DR: 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester (CAS 688804-24-2) is a chemical compound with molecular formula C13H16ClNO2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-2-chloro-3-[4-(dimethylamino)phenyl]prop-2-enoate
Also Known As: J2.785.160F, Ethyl 2-chloro-3-[4-(dimethylamino)phenyl]acrylate, 2-Chloro-3-(4-dimethylamino-phenyl)-acrylic acid ethyl ester, 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester, ethyl (Z)-2-chloro-3-(4-dimethylaminophenyl)prop-2-enoate
| Molecular Formula | C13H16ClNO2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.8954 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.08696 |
| Heavy Atoms | 17 |
| Complexity | 409.93256 |
Chemical Identifiers
| CAS Number | 688804-24-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/Cl |
Product Overview
2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester (CAS 688804-24-2), with molecular formula C13H16ClNO2 and molecular weight 253.09 g/mol. IUPAC: ethyl (Z)-2-chloro-3-[4-(dimethylamino)phenyl]prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester
Property Insights of 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester
The XLogP value of 2.8954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester has 0 hydrogen bond donor(s) and 3 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-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester is 688804-24-2.
What is the molecular formula of 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester is C13H16ClNO2.
What is the molecular weight of 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester is 253.09 g/mol.
Where can I buy 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl 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-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-chloro-3-[4-(dimethylamino)phenyl]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.