Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate
TL;DR: Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate (CAS 40080-06-6) is a chemical compound with molecular formula C5H5Cl2NO3 and molecular weight 196.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-4-amino-2,3-dichloro-4-oxobut-2-enoate
Also Known As: methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate, methyl (2Z)-3-carbamoyl-2,3-dichloroprop-2-enoate, methyl (Z)-4-amino-2,3-dichloro-4-oxobut-2-enoate, methyl(2Z)-3-carbamoyl-2,3-dichloroprop-2-enoate, methyl (Z)-4-amino-2,3-dichloro-4-oxo-but-2-enoate
| Molecular Formula | C5H5Cl2NO3 |
|---|---|
| Molecular Weight | 196.96 g/mol |
| LogP | 0.3339 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.96465 |
| Heavy Atoms | 11 |
| Complexity | 223.76743 |
Chemical Identifiers
| CAS Number | 40080-06-6 |
|---|---|
| SMILES | COC(=O)/C(=C(\C(=O)N)/Cl)/Cl |
Product Overview
Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate (CAS 40080-06-6), with molecular formula C5H5Cl2NO3 and molecular weight 196.96 g/mol. IUPAC: methyl (Z)-4-amino-2,3-dichloro-4-oxobut-2-enoate.
Chemical Property Profile of Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate
Property Insights of Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate
The XLogP value of 0.3339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate. Following Lipinski's Rule of Five, Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate 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
Frequently Asked Questions
What is the CAS number of Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate?
The CAS number of Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate is 40080-06-6.
What is the molecular formula of Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate?
The molecular formula of Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate is C5H5Cl2NO3.
What is the molecular weight of Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate?
The molecular weight of Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate is 196.96 g/mol.
Where can I buy Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate?
You can request a quote for Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-2,3-dichloro-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.