1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-
TL;DR: 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- (CAS 98546-65-7) 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-3-ethylpent-1-en-4-yn-3-ol
Also Known As: 5-Bromo-3-ethyl-1-penten-4-yn-3-ol, 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-, 5-bromo-3-ethylpent-1-en-4-yn-3-ol, 4-01-00-02315 (Beilstein Handbook Reference), RefChem:1056252
| Molecular Formula | C7H9BrO |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | 1.6693 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.98367 |
| Heavy Atoms | 9 |
| Complexity | 154.03442 |
Chemical Identifiers
| CAS Number | 98546-65-7 |
|---|---|
| SMILES | CCC(C=C)(C#CBr)O |
Product Overview
1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- (CAS 98546-65-7), with molecular formula C7H9BrO and molecular weight 187.98 g/mol. IUPAC: 5-bromo-3-ethylpent-1-en-4-yn-3-ol.
Chemical Property Profile of 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-
Property Insights of 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-
The XLogP value of 1.6693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- 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-Penten-4-yn-3-ol, 5-bromo-3-ethyl-?
The CAS number of 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- is 98546-65-7.
What is the molecular formula of 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-?
The molecular formula of 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- is C7H9BrO.
What is the molecular weight of 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-?
The molecular weight of 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- is 187.98 g/mol.
Where can I buy 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-?
You can request a quote for 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-4-yn-3-ol, 5-bromo-3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.