Ethyl 3-(carbamoylamino)but-2-enoate
TL;DR: Ethyl 3-(carbamoylamino)but-2-enoate (CAS 22243-66-9) is a chemical compound with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(carbamoylamino)but-2-enoate
Also Known As: ethyl 3-(carbamoylamino)but-2-enoate, beta-Ureidocrotonic acid, ethyl ester, ethyl (Z)-3-(carbamoylamino)but-2-enoate, 2-Butenoic acid,3-[(aminocarbonyl)amino]-, ethyl ester
| Molecular Formula | C7H12N2O3 |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.0848 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 22243-66-9 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NC(=O)N |
| InChIKey | RVXCSDJLRCXJCN-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(carbamoylamino)but-2-enoate (CAS 22243-66-9), with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol. IUPAC: ethyl 3-(carbamoylamino)but-2-enoate.
Chemical Property Profile of Ethyl 3-(carbamoylamino)but-2-enoate
Property Insights of Ethyl 3-(carbamoylamino)but-2-enoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(carbamoylamino)but-2-enoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(carbamoylamino)but-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(carbamoylamino)but-2-enoate has 2 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 Ethyl 3-(carbamoylamino)but-2-enoate?
The CAS number of Ethyl 3-(carbamoylamino)but-2-enoate is 22243-66-9.
What is the molecular formula of Ethyl 3-(carbamoylamino)but-2-enoate?
The molecular formula of Ethyl 3-(carbamoylamino)but-2-enoate is C7H12N2O3.
What is the molecular weight of Ethyl 3-(carbamoylamino)but-2-enoate?
The molecular weight of Ethyl 3-(carbamoylamino)but-2-enoate is 172.08 g/mol.
Where can I buy Ethyl 3-(carbamoylamino)but-2-enoate?
You can request a quote for Ethyl 3-(carbamoylamino)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(carbamoylamino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(carbamoylamino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.