Methyl maleurate
TL;DR: Methyl maleurate (CAS 105-63-5) is a chemical compound with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-4-(carbamoylamino)-4-oxobut-2-enoate
Also Known As: Methyl maleurate, Methyl N-carbamoylmaleamate, Methylmaleourea, Maleuric acid, methyl ester, methyl-N-carbamoylmaleamat
| Molecular Formula | C6H8N2O4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | -1.0895 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.0484 |
| Heavy Atoms | 12 |
| Complexity | 233.70259 |
Chemical Identifiers
| CAS Number | 105-63-5 |
|---|---|
| SMILES | COC(=O)/C=C\C(=O)NC(=O)N |
Product Overview
Methyl maleurate (CAS 105-63-5), with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol. IUPAC: methyl (Z)-4-(carbamoylamino)-4-oxobut-2-enoate.
Chemical Property Profile of Methyl maleurate
Property Insights of Methyl maleurate
The XLogP value of -1.0895 indicates that Methyl maleurate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl maleurate. Following Lipinski's Rule of Five, Methyl maleurate has 2 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 Methyl maleurate?
The CAS number of Methyl maleurate is 105-63-5.
What is the molecular formula of Methyl maleurate?
The molecular formula of Methyl maleurate is C6H8N2O4.
What is the molecular weight of Methyl maleurate?
The molecular weight of Methyl maleurate is 172.05 g/mol.
Where can I buy Methyl maleurate?
You can request a quote for Methyl maleurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl maleurate?
Yes, KEHONG BIO provides custom synthesis services for Methyl maleurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.