Methyl 4-(carbamoylamino)-4-oxobut-2-enoate
TL;DR: Methyl 4-(carbamoylamino)-4-oxobut-2-enoate (CAS 65490-98-4) 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 4-(carbamoylamino)-4-oxobut-2-enoate
Also Known As: Methyl N-carbamoylmaleamate, methyl 4-(carbamoylamino)-4-oxobut-2-enoate, METHYL 3-(CARBAMOYLCARBAMOYL)PROP-2-ENOATE, 2-Butenoic acid,4-[(aminocarbonyl)amino]-4-oxo-, methyl ester, (2Z)-
| Molecular Formula | C6H8N2O4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.0484 |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 65490-98-4 |
|---|---|
| SMILES | COC(=O)C=CC(=O)NC(=O)N |
| InChIKey | DSQHQLPYWULAMJ-UHFFFAOYSA-N |
Product Overview
Methyl 4-(carbamoylamino)-4-oxobut-2-enoate (CAS 65490-98-4), with molecular formula C6H8N2O4 and molecular weight 172.05 g/mol. IUPAC: methyl 4-(carbamoylamino)-4-oxobut-2-enoate.
Chemical Property Profile of Methyl 4-(carbamoylamino)-4-oxobut-2-enoate
Property Insights of Methyl 4-(carbamoylamino)-4-oxobut-2-enoate
The XLogP value of -0.6 indicates that Methyl 4-(carbamoylamino)-4-oxobut-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(carbamoylamino)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Methyl 4-(carbamoylamino)-4-oxobut-2-enoate 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 4-(carbamoylamino)-4-oxobut-2-enoate?
The CAS number of Methyl 4-(carbamoylamino)-4-oxobut-2-enoate is 65490-98-4.
What is the molecular formula of Methyl 4-(carbamoylamino)-4-oxobut-2-enoate?
The molecular formula of Methyl 4-(carbamoylamino)-4-oxobut-2-enoate is C6H8N2O4.
What is the molecular weight of Methyl 4-(carbamoylamino)-4-oxobut-2-enoate?
The molecular weight of Methyl 4-(carbamoylamino)-4-oxobut-2-enoate is 172.05 g/mol.
Where can I buy Methyl 4-(carbamoylamino)-4-oxobut-2-enoate?
You can request a quote for Methyl 4-(carbamoylamino)-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(carbamoylamino)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(carbamoylamino)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.