2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate
TL;DR: 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate (CAS 6970-98-5) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate
Also Known As: phenethyl 4-(carbamoylamino)-4-oxobut-2-enoate, 2-phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate, 2-Butenoic acid,4-[(aminocarbonyl)amino]-4-oxo-, 2-phenylethyl ester, (Z)- (9CI)
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 6970-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C=CC(=O)NC(=O)N |
| InChIKey | MQSZERDEZYCQCR-UHFFFAOYSA-N |
Product Overview
2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate (CAS 6970-98-5), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 2-phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate.
Chemical Property Profile of 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate
Property Insights of 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, 2-Phenylethyl 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 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate?
The CAS number of 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate is 6970-98-5.
What is the molecular formula of 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate?
The molecular formula of 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate is C13H14N2O4.
What is the molecular weight of 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate?
The molecular weight of 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate is 262.10 g/mol.
Where can I buy 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate?
You can request a quote for 2-Phenylethyl 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 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl 4-(carbamoylamino)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.