3-丁炔-1-醇
TL;DR: 3-丁炔-1-醇 (CAS 927-74-2) is a chemical compound with molecular formula C4H6O and molecular weight 70.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-丁炔-1-醇
but-3-yn-1-ol
Also Known As: 3-BUTYN-1-OL, But-3-yn-1-ol, 3-Butynol, 3-Butynyl alcohol, 1-Butyn-4-ol
| Molecular Formula | C4H6O |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 70.04186 |
| Heavy Atoms | 5 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 927-74-2 |
|---|---|
| SMILES | C#CCCO |
| InChIKey | OTJZCIYGRUNXTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-丁炔-1-醇 (CAS 927-74-2), with molecular formula C4H6O and molecular weight 70.04 g/mol. IUPAC: but-3-yn-1-ol.
Chemical Property Profile of 3-丁炔-1-醇
Property Insights of 3-丁炔-1-醇
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-丁炔-1-醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3-丁炔-1-醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-丁炔-1-醇 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-丁炔-1-醇?
The CAS number of 3-丁炔-1-醇 is 927-74-2.
What is the molecular formula of 3-丁炔-1-醇?
The molecular formula of 3-丁炔-1-醇 is C4H6O.
What is the molecular weight of 3-丁炔-1-醇?
The molecular weight of 3-丁炔-1-醇 is 70.04 g/mol.
Where can I buy 3-丁炔-1-醇?
You can request a quote for 3-丁炔-1-醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-丁炔-1-醇?
Yes, KEHONG BIO provides custom synthesis services for 3-丁炔-1-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.