2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester
TL;DR: 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester (CAS 64346-47-0) is a chemical compound with molecular formula C10H18N2O3 and molecular weight 214.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(tert-butylcarbamoylamino)but-2-enoate
Also Known As: methyl (E)-3-(tert-butylcarbamoylamino)but-2-enoate, METHYL 3-[[[TERT-BUTYLAMINO]CARBONYL]AMINO]-2-BUTENOATE, 2-Butenoic acid, 3-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-, methyl ester, 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester, Methyl 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-2-butenoate
| Molecular Formula | C10H18N2O3 |
|---|---|
| Molecular Weight | 214.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.13174 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 64346-47-0 |
|---|---|
| SMILES | CC(=CC(=O)OC)NC(=O)NC(C)(C)C |
| InChIKey | UXOROTUGAADVMK-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester (CAS 64346-47-0), with molecular formula C10H18N2O3 and molecular weight 214.13 g/mol. IUPAC: methyl 3-(tert-butylcarbamoylamino)but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester
Property Insights of 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester 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 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester?
The CAS number of 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester is 64346-47-0.
What is the molecular formula of 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester?
The molecular formula of 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester is C10H18N2O3.
What is the molecular weight of 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester?
The molecular weight of 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester is 214.13 g/mol.
Where can I buy 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester?
You can request a quote for 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-((((1,1-dimethylethyl)amino)carbonyl)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.