2-Butenoic acid, 2-methyl-
TL;DR: 2-Butenoic acid, 2-methyl- (CAS 13201-46-2) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-2-enoic acid
Also Known As: Angelic acid, TIGLIC ACID, 2-methylbut-2-enoic acid, Tiglicacid, 2-Butenoic acid, 2-methyl-
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 13201-46-2 |
|---|---|
| SMILES | CC=C(C)C(=O)O |
| InChIKey | UIERETOOQGIECD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 2-methyl- (CAS 13201-46-2), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: 2-methylbut-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-
Property Insights of 2-Butenoic acid, 2-methyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-methyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Butenoic acid, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl- has 1 hydrogen bond donor(s) and 2 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, 2-methyl-?
The CAS number of 2-Butenoic acid, 2-methyl- is 13201-46-2.
What is the molecular formula of 2-Butenoic acid, 2-methyl-?
The molecular formula of 2-Butenoic acid, 2-methyl- is C5H8O2.
What is the molecular weight of 2-Butenoic acid, 2-methyl-?
The molecular weight of 2-Butenoic acid, 2-methyl- is 100.05 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-?
You can request a quote for 2-Butenoic acid, 2-methyl- 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, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.