4-溴-3-甲基丁-2-烯酸
TL;DR: 4-溴-3-甲基丁-2-烯酸 (CAS 19041-16-8) is a chemical compound with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-溴-3-甲基丁-2-烯酸
4-bromo-3-methylbut-2-enoic acid
Also Known As: Benzenebutanoic acid,g-phenyl, 4-bromo-3-methylbutenoic acid, 2-Butenoicacid, 4-bromo-3-methyl-, 4-bromo-3-methylbut-2-enoic acid, (E)-4-bromo-3-methylbut-2-enoic acid
| Molecular Formula | C5H7BrO2 |
|---|---|
| Molecular Weight | 177.96 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.96294 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 19041-16-8 |
|---|---|
| SMILES | CC(=CC(=O)O)CBr |
| InChIKey | YULJPXSLWCGOOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-溴-3-甲基丁-2-烯酸 (CAS 19041-16-8), with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol. IUPAC: 4-bromo-3-methylbut-2-enoic acid.
Chemical Property Profile of 4-溴-3-甲基丁-2-烯酸
Property Insights of 4-溴-3-甲基丁-2-烯酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-溴-3-甲基丁-2-烯酸. With a topological polar surface area (TPSA) of 37.3 Ų, 4-溴-3-甲基丁-2-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴-3-甲基丁-2-烯酸 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 4-溴-3-甲基丁-2-烯酸?
The CAS number of 4-溴-3-甲基丁-2-烯酸 is 19041-16-8.
What is the molecular formula of 4-溴-3-甲基丁-2-烯酸?
The molecular formula of 4-溴-3-甲基丁-2-烯酸 is C5H7BrO2.
What is the molecular weight of 4-溴-3-甲基丁-2-烯酸?
The molecular weight of 4-溴-3-甲基丁-2-烯酸 is 177.96 g/mol.
Where can I buy 4-溴-3-甲基丁-2-烯酸?
You can request a quote for 4-溴-3-甲基丁-2-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-溴-3-甲基丁-2-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-溴-3-甲基丁-2-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.