2-Butenoic acid, 3-methyl-, 1,1'-anhydride
TL;DR: 2-Butenoic acid, 3-methyl-, 1,1'-anhydride (CAS 34876-10-3) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enoyl 3-methylbut-2-enoate
Also Known As: 3-methylbut-2-enoic anhydride, senecioic anhydride, 3-Methyl-2-butenoic anhydride, 3-methylbut-2-enoyl 3-methylbut-2-enoate, Crotonic acid, anhydride
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 34876-10-3 |
|---|---|
| SMILES | CC(=CC(=O)OC(=O)C=C(C)C)C |
| InChIKey | YQEIMEGRSTXEMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 3-methyl-, 1,1'-anhydride (CAS 34876-10-3), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 3-methylbut-2-enoyl 3-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-methyl-, 1,1'-anhydride
Property Insights of 2-Butenoic acid, 3-methyl-, 1,1'-anhydride
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-methyl-, 1,1'-anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Butenoic acid, 3-methyl-, 1,1'-anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methyl-, 1,1'-anhydride has 0 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-methyl-, 1,1'-anhydride?
The CAS number of 2-Butenoic acid, 3-methyl-, 1,1'-anhydride is 34876-10-3.
What is the molecular formula of 2-Butenoic acid, 3-methyl-, 1,1'-anhydride?
The molecular formula of 2-Butenoic acid, 3-methyl-, 1,1'-anhydride is C10H14O3.
What is the molecular weight of 2-Butenoic acid, 3-methyl-, 1,1'-anhydride?
The molecular weight of 2-Butenoic acid, 3-methyl-, 1,1'-anhydride is 182.09 g/mol.
Where can I buy 2-Butenoic acid, 3-methyl-, 1,1'-anhydride?
You can request a quote for 2-Butenoic acid, 3-methyl-, 1,1'-anhydride 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-methyl-, 1,1'-anhydride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methyl-, 1,1'-anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.