3-甲基-2-丁烯酸苄酯
TL;DR: 3-甲基-2-丁烯酸苄酯 (CAS 4314-35-6) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-丁烯酸苄酯
benzyl 3-methylbut-2-enoate
Also Known As: benzyl 3-methylbut-2-enoate, Benzyl 3-methylcrotonate, 2-Butenoic acid, 3-methyl-, phenylmethyl ester, Benzyl 3-methyl-2-butenoate, Benzyl 3,3-dimethylacrylate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 4314-35-6 |
|---|---|
| SMILES | CC(=CC(=O)OCC1=CC=CC=C1)C |
| InChIKey | WRUBNJSGJHOHJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-丁烯酸苄酯 (CAS 4314-35-6), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: benzyl 3-methylbut-2-enoate.
Chemical Property Profile of 3-甲基-2-丁烯酸苄酯
Property Insights of 3-甲基-2-丁烯酸苄酯
The XLogP value of 3.4 indicates that 3-甲基-2-丁烯酸苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-甲基-2-丁烯酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-丁烯酸苄酯 has 0 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 3-甲基-2-丁烯酸苄酯?
The CAS number of 3-甲基-2-丁烯酸苄酯 is 4314-35-6.
What is the molecular formula of 3-甲基-2-丁烯酸苄酯?
The molecular formula of 3-甲基-2-丁烯酸苄酯 is C12H14O2.
What is the molecular weight of 3-甲基-2-丁烯酸苄酯?
The molecular weight of 3-甲基-2-丁烯酸苄酯 is 190.10 g/mol.
Where can I buy 3-甲基-2-丁烯酸苄酯?
You can request a quote for 3-甲基-2-丁烯酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-丁烯酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-丁烯酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.