Crotonic acid, 2-acetamido-3-methyl-
TL;DR: Crotonic acid, 2-acetamido-3-methyl- (CAS 6642-21-3) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-methylbut-2-enoic acid
Also Known As: Crotonic acid, 2-acetamido-3-methyl-, 2-acetamido-3-methylbut-2-enoic acid, N-acetyl-2,3-dehydrovaline, N-Acetyl-2-isopropylideneglycine, Crotonicacid,2-acetamido-3-methyl-
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 6642-21-3 |
|---|---|
| SMILES | CC(=C(C(=O)O)NC(=O)C)C |
| InChIKey | VVBDLUDKPUDRKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crotonic acid, 2-acetamido-3-methyl- (CAS 6642-21-3), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: 2-acetamido-3-methylbut-2-enoic acid.
Chemical Property Profile of Crotonic acid, 2-acetamido-3-methyl-
Property Insights of Crotonic acid, 2-acetamido-3-methyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crotonic acid, 2-acetamido-3-methyl-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonic acid, 2-acetamido-3-methyl-. Following Lipinski's Rule of Five, Crotonic acid, 2-acetamido-3-methyl- 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 Crotonic acid, 2-acetamido-3-methyl-?
The CAS number of Crotonic acid, 2-acetamido-3-methyl- is 6642-21-3.
What is the molecular formula of Crotonic acid, 2-acetamido-3-methyl-?
The molecular formula of Crotonic acid, 2-acetamido-3-methyl- is C7H11NO3.
What is the molecular weight of Crotonic acid, 2-acetamido-3-methyl-?
The molecular weight of Crotonic acid, 2-acetamido-3-methyl- is 157.07 g/mol.
Where can I buy Crotonic acid, 2-acetamido-3-methyl-?
You can request a quote for Crotonic acid, 2-acetamido-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonic acid, 2-acetamido-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Crotonic acid, 2-acetamido-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.