Ethyl 2-carbamoyl-3-methylbut-2-enoate
TL;DR: Ethyl 2-carbamoyl-3-methylbut-2-enoate (CAS 83075-94-9) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-carbamoyl-3-methylbut-2-enoate
Also Known As: ethyl 2-carbamoyl-3-methylbut-2-enoate, 2-(Ethoxycarbonyl)-3-methylbut-2-enimidic acid
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 83075-94-9 |
|---|---|
| SMILES | CCOC(=O)C(=C(C)C)C(=O)N |
| InChIKey | BTUBFECCEIVQAH-UHFFFAOYSA-N |
Product Overview
Ethyl 2-carbamoyl-3-methylbut-2-enoate (CAS 83075-94-9), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: ethyl 2-carbamoyl-3-methylbut-2-enoate.
Chemical Property Profile of Ethyl 2-carbamoyl-3-methylbut-2-enoate
Property Insights of Ethyl 2-carbamoyl-3-methylbut-2-enoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-carbamoyl-3-methylbut-2-enoate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-carbamoyl-3-methylbut-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-carbamoyl-3-methylbut-2-enoate has 1 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 2-carbamoyl-3-methylbut-2-enoate?
The CAS number of Ethyl 2-carbamoyl-3-methylbut-2-enoate is 83075-94-9.
What is the molecular formula of Ethyl 2-carbamoyl-3-methylbut-2-enoate?
The molecular formula of Ethyl 2-carbamoyl-3-methylbut-2-enoate is C8H13NO3.
What is the molecular weight of Ethyl 2-carbamoyl-3-methylbut-2-enoate?
The molecular weight of Ethyl 2-carbamoyl-3-methylbut-2-enoate is 171.09 g/mol.
Where can I buy Ethyl 2-carbamoyl-3-methylbut-2-enoate?
You can request a quote for Ethyl 2-carbamoyl-3-methylbut-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 2-carbamoyl-3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-carbamoyl-3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.