2-Bromo-3-methylbut-2-en-1-ol
TL;DR: 2-Bromo-3-methylbut-2-en-1-ol (CAS 80555-61-9) is a chemical compound with molecular formula C5H9BrO and molecular weight 163.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methylbut-2-en-1-ol
Also Known As: 2-Bromo-3-methylbut-2-en-1-ol, starbld0049344, 2-bromo-3-methyl-but-2-en-1-ol, 2-Bromo-3-methyl-2-buten-1-ol #, 969-088-4
| Molecular Formula | C5H9BrO |
|---|---|
| Molecular Weight | 163.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.98367 |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 80555-61-9 |
|---|---|
| SMILES | CC(=C(CO)Br)C |
| InChIKey | MGCRAWYWIQETDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3-methylbut-2-en-1-ol (CAS 80555-61-9), with molecular formula C5H9BrO and molecular weight 163.98 g/mol. IUPAC: 2-bromo-3-methylbut-2-en-1-ol.
Chemical Property Profile of 2-Bromo-3-methylbut-2-en-1-ol
Property Insights of 2-Bromo-3-methylbut-2-en-1-ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-methylbut-2-en-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Bromo-3-methylbut-2-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-methylbut-2-en-1-ol has 1 hydrogen bond donor(s) and 1 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-Bromo-3-methylbut-2-en-1-ol?
The CAS number of 2-Bromo-3-methylbut-2-en-1-ol is 80555-61-9.
What is the molecular formula of 2-Bromo-3-methylbut-2-en-1-ol?
The molecular formula of 2-Bromo-3-methylbut-2-en-1-ol is C5H9BrO.
What is the molecular weight of 2-Bromo-3-methylbut-2-en-1-ol?
The molecular weight of 2-Bromo-3-methylbut-2-en-1-ol is 163.98 g/mol.
Where can I buy 2-Bromo-3-methylbut-2-en-1-ol?
You can request a quote for 2-Bromo-3-methylbut-2-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-methylbut-2-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-methylbut-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.