1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-
TL;DR: 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- (CAS 56998-66-4) is a chemical compound with molecular formula C8H13BrO and molecular weight 204.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,4,4-trimethylpent-1-yn-3-ol
Also Known As: 1-Bromo-3,4,4-trimethyl-1-pentyn-3-ol, Methyl-tert-butyl-bromaethenyl-carbinol, 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-, 1-bromo-3,4,4-trimethylpent-1-yn-3-ol, Methyl-tert-butyl-bromaethenyl-carbinol [German]
| Molecular Formula | C8H13BrO |
|---|---|
| Molecular Weight | 204.01 g/mol |
| LogP | 2.1393 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.01498 |
| Heavy Atoms | 10 |
| Complexity | 165.92218 |
Chemical Identifiers
| CAS Number | 56998-66-4 |
|---|---|
| SMILES | CC(C)(C)C(C)(C#CBr)O |
Product Overview
1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- (CAS 56998-66-4), with molecular formula C8H13BrO and molecular weight 204.01 g/mol. IUPAC: 1-bromo-3,4,4-trimethylpent-1-yn-3-ol.
Chemical Property Profile of 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-
Property Insights of 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-
The XLogP value of 2.1393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- 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-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-?
The CAS number of 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- is 56998-66-4.
What is the molecular formula of 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-?
The molecular formula of 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- is C8H13BrO.
What is the molecular weight of 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-?
The molecular weight of 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- is 204.01 g/mol.
Where can I buy 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-?
You can request a quote for 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.