2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester
TL;DR: 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester (CAS 105590-99-6) is a chemical compound with molecular formula C6H8ClNO3 and molecular weight 177.01927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-acetamido-3-chloroprop-2-enoate
Also Known As: methyl 2-acetamido-3-chloroprop-2-enoate, 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester, 2-acetamido-3-chloroacrylic acid methyl ester, 2-Propenoic acid,2-(acetylamino)-3-chloro-, methyl ester, (z)-(9ci)
Technical Specifications
| Molecular Formula | C6H8ClNO3 |
| Molecular Weight | 177.01927 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.01927 Da |
| Heavy Atoms | 11 |
| Complexity | 200.0 |
| SMILES | CC(=O)NC(=CCl)C(=O)OC |
| InChIKey | ZRKWYVBZXVWMGX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester
Property Insights of 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester?
The CAS number of 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester is 105590-99-6.
What is the molecular formula of 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester?
The molecular formula of 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester is C6H8ClNO3.
What is the molecular weight of 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester?
The molecular weight of 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester is 177.01927 g/mol.
Where can I buy 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester?
You can request a quote for 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Propenoic acid, 2-(acetylamino)-3-chloro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.