2-Benzamido-3-methylbut-2-enoic acid
TL;DR: 2-Benzamido-3-methylbut-2-enoic acid (CAS 1738-64-3) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-methylbut-2-enoic acid
Also Known As: 2-benzamido-3-methylbut-2-enoic acid, starbld0044731, NCIOpen2_002790, 2-benzamido-3-methylcrotonic acid, 2-Benzoylamino-3-methyl-crotonsaeure
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 1738-64-3 |
|---|---|
| SMILES | CC(=C(C(=O)O)NC(=O)C1=CC=CC=C1)C |
| InChIKey | JOPORVSSFJWMSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzamido-3-methylbut-2-enoic acid (CAS 1738-64-3), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 2-benzamido-3-methylbut-2-enoic acid.
Chemical Property Profile of 2-Benzamido-3-methylbut-2-enoic acid
Property Insights of 2-Benzamido-3-methylbut-2-enoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzamido-3-methylbut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzamido-3-methylbut-2-enoic acid. Following Lipinski's Rule of Five, 2-Benzamido-3-methylbut-2-enoic acid 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-Benzamido-3-methylbut-2-enoic acid?
The CAS number of 2-Benzamido-3-methylbut-2-enoic acid is 1738-64-3.
What is the molecular formula of 2-Benzamido-3-methylbut-2-enoic acid?
The molecular formula of 2-Benzamido-3-methylbut-2-enoic acid is C12H13NO3.
What is the molecular weight of 2-Benzamido-3-methylbut-2-enoic acid?
The molecular weight of 2-Benzamido-3-methylbut-2-enoic acid is 219.09 g/mol.
Where can I buy 2-Benzamido-3-methylbut-2-enoic acid?
You can request a quote for 2-Benzamido-3-methylbut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzamido-3-methylbut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzamido-3-methylbut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.