Butyl 4-(carbamoylamino)-4-oxobut-2-enoate
TL;DR: Butyl 4-(carbamoylamino)-4-oxobut-2-enoate (CAS 140-98-7) is a chemical compound with molecular formula C9H14N2O4 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(carbamoylamino)-4-oxobut-2-enoate
Also Known As: Butyl maleurate, Butyl N-carbamoylmaleamate, Maleuric acid, butyl ester, Maleuric acid butyl ester [MI], butyl 4-(carbamoylamino)-4-oxobut-2-enoate
| Molecular Formula | C9H14N2O4 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 214.09535 |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 140-98-7 |
|---|---|
| SMILES | CCCCOC(=O)C=CC(=O)NC(=O)N |
| InChIKey | PMRRCSZAUHOZGW-UHFFFAOYSA-N |
Product Overview
Butyl 4-(carbamoylamino)-4-oxobut-2-enoate (CAS 140-98-7), with molecular formula C9H14N2O4 and molecular weight 214.10 g/mol. IUPAC: butyl 4-(carbamoylamino)-4-oxobut-2-enoate.
Chemical Property Profile of Butyl 4-(carbamoylamino)-4-oxobut-2-enoate
Property Insights of Butyl 4-(carbamoylamino)-4-oxobut-2-enoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-(carbamoylamino)-4-oxobut-2-enoate. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-(carbamoylamino)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Butyl 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 Butyl 4-(carbamoylamino)-4-oxobut-2-enoate?
The CAS number of Butyl 4-(carbamoylamino)-4-oxobut-2-enoate is 140-98-7.
What is the molecular formula of Butyl 4-(carbamoylamino)-4-oxobut-2-enoate?
The molecular formula of Butyl 4-(carbamoylamino)-4-oxobut-2-enoate is C9H14N2O4.
What is the molecular weight of Butyl 4-(carbamoylamino)-4-oxobut-2-enoate?
The molecular weight of Butyl 4-(carbamoylamino)-4-oxobut-2-enoate is 214.10 g/mol.
Where can I buy Butyl 4-(carbamoylamino)-4-oxobut-2-enoate?
You can request a quote for Butyl 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 Butyl 4-(carbamoylamino)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(carbamoylamino)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.