1-Bromo-3-methyl-1-pentyn-3-ol
TL;DR: 1-Bromo-3-methyl-1-pentyn-3-ol (CAS 2028-52-6) is a chemical compound with molecular formula C6H9BrO and molecular weight 175.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-methylpent-1-yn-3-ol
Also Known As: Bason, 1-Bromo-3-methyl-1-pentyn-3-ol, 2-Bromoethynyl-2-butanol, Bromoethynylethylmethylcarbinol, 1-Bromo-3-methylpentin-3-ol
| Molecular Formula | C6H9BrO |
|---|---|
| Molecular Weight | 175.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.98367 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 2028-52-6 |
|---|---|
| SMILES | CCC(C)(C#CBr)O |
| InChIKey | KGKSTPKEAQNJJD-UHFFFAOYSA-N |
Product Overview
1-Bromo-3-methyl-1-pentyn-3-ol (CAS 2028-52-6), with molecular formula C6H9BrO and molecular weight 175.98 g/mol. IUPAC: 1-bromo-3-methylpent-1-yn-3-ol.
Chemical Property Profile of 1-Bromo-3-methyl-1-pentyn-3-ol
Property Insights of 1-Bromo-3-methyl-1-pentyn-3-ol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-3-methyl-1-pentyn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Bromo-3-methyl-1-pentyn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-methyl-1-pentyn-3-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 1-Bromo-3-methyl-1-pentyn-3-ol?
The CAS number of 1-Bromo-3-methyl-1-pentyn-3-ol is 2028-52-6.
What is the molecular formula of 1-Bromo-3-methyl-1-pentyn-3-ol?
The molecular formula of 1-Bromo-3-methyl-1-pentyn-3-ol is C6H9BrO.
What is the molecular weight of 1-Bromo-3-methyl-1-pentyn-3-ol?
The molecular weight of 1-Bromo-3-methyl-1-pentyn-3-ol is 175.98 g/mol.
Where can I buy 1-Bromo-3-methyl-1-pentyn-3-ol?
You can request a quote for 1-Bromo-3-methyl-1-pentyn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-methyl-1-pentyn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-methyl-1-pentyn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.