2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester
TL;DR: 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester (CAS 110104-60-4) is a chemical compound with molecular formula C6H9ClO3 and molecular weight 164.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-chloro-3-methoxybut-2-enoate
Also Known As: methyl 4-chloro-3-methoxybut-2-enoate, Amlodipine Impurity 92, Oxiracetam Impurity 21, Methyl (E)-4-chloro-3-methoxy-2-butenoate, methyl 4-chloro-3-methoxy-but-2-enoate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H9ClO3 |
| Molecular Weight | 164.02402 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.02402 Da |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
| SMILES | COC(=CC(=O)OC)CCl |
| InChIKey | JNYMRXDQVPIONI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester
Property Insights of 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-chloro-3-methoxy-, methyl 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
What is the CAS number of 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester?
The CAS number of 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester is 110104-60-4.
What is the molecular formula of 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester?
The molecular formula of 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester is C6H9ClO3.
What is the molecular weight of 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester?
The molecular weight of 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester is 164.02402 g/mol.
Where can I buy 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester?
You can request a quote for 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.