3-Pentyn-2-ol
TL;DR: 3-Pentyn-2-ol (CAS 57984-70-0) is a chemical compound with molecular formula C5H8O and molecular weight 84.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-3-yn-2-ol
Also Known As: 3-Pentyn-2-ol, pent-3-yn-2-ol, 1-methyl-2-butyn-1-ol, (rac)-pent-3-yn-2-ol, (2S)-PENT-3-YN-2-OL
| Molecular Formula | C5H8O |
|---|---|
| Molecular Weight | 84.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.05752 |
| Heavy Atoms | 6 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 57984-70-0 |
|---|---|
| SMILES | CC#CC(C)O |
| InChIKey | HJFRLXPEVRXBQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentyn-2-ol (CAS 57984-70-0), with molecular formula C5H8O and molecular weight 84.06 g/mol. IUPAC: pent-3-yn-2-ol.
Chemical Property Profile of 3-Pentyn-2-ol
Property Insights of 3-Pentyn-2-ol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentyn-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Pentyn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentyn-2-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 3-Pentyn-2-ol?
The CAS number of 3-Pentyn-2-ol is 57984-70-0.
What is the molecular formula of 3-Pentyn-2-ol?
The molecular formula of 3-Pentyn-2-ol is C5H8O.
What is the molecular weight of 3-Pentyn-2-ol?
The molecular weight of 3-Pentyn-2-ol is 84.06 g/mol.
Where can I buy 3-Pentyn-2-ol?
You can request a quote for 3-Pentyn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentyn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentyn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.