5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol
TL;DR: 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol (CAS 17215-23-5) is a chemical compound with molecular formula C7H9BrO and molecular weight 187.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2,3-dimethylpent-1-en-4-yn-3-ol
Also Known As: 5-Bromo-2,3-dimethyl-1-penten-4-yn-3-ol, 5-bromo-2,3-dimethylpent-1-en-4-yn-3-ol, 1-Penten-4-yn-3-ol, 5-bromo-2,3-dimethyl-, 1-bromo-3,4-dimethylpent-4-en-1-yn-3-ol, 4-01-00-02315 (Beilstein Handbook Reference)
| Molecular Formula | C7H9BrO |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.98367 |
| Heavy Atoms | 9 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 17215-23-5 |
|---|---|
| SMILES | CC(=C)C(C)(C#CBr)O |
| InChIKey | FCOQZPGPKDNCIW-UHFFFAOYSA-N |
Product Overview
5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol (CAS 17215-23-5), with molecular formula C7H9BrO and molecular weight 187.98 g/mol. IUPAC: 5-bromo-2,3-dimethylpent-1-en-4-yn-3-ol.
Chemical Property Profile of 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol
Property Insights of 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2,3-dimethylpent-1-en-4-yn-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 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol?
The CAS number of 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol is 17215-23-5.
What is the molecular formula of 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol?
The molecular formula of 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol is C7H9BrO.
What is the molecular weight of 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol?
The molecular weight of 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol is 187.98 g/mol.
Where can I buy 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol?
You can request a quote for 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2,3-dimethylpent-1-en-4-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.