3-Buten-2-ol
TL;DR: 3-Buten-2-ol (CAS 598-32-3) is a chemical compound with molecular formula C4H8O and molecular weight 72.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-en-2-ol
Also Known As: 3-BUTEN-2-OL, but-3-en-2-ol, 1-Buten-3-ol, Methyl vinylcarbinol, 3-Butene-2-ol
| Molecular Formula | C4H8O |
|---|---|
| Molecular Weight | 72.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.05752 |
| Heavy Atoms | 5 |
| Complexity | 32.0 |
| Boiling Point | 97 °C @760 [mm Hg] |
| Density | 0.831 @ 20°C |
Chemical Identifiers
| CAS Number | 598-32-3 |
|---|---|
| SMILES | CC(C=C)O |
| InChIKey | MKUWVMRNQOOSAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-ol (CAS 598-32-3), with molecular formula C4H8O and molecular weight 72.06 g/mol. IUPAC: but-3-en-2-ol.
Chemical Property Profile of 3-Buten-2-ol
Property Insights of 3-Buten-2-ol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Buten-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-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-Buten-2-ol?
The CAS number of 3-Buten-2-ol is 598-32-3.
What is the molecular formula of 3-Buten-2-ol?
The molecular formula of 3-Buten-2-ol is C4H8O.
What is the molecular weight of 3-Buten-2-ol?
The molecular weight of 3-Buten-2-ol is 72.06 g/mol.
Where can I buy 3-Buten-2-ol?
You can request a quote for 3-Buten-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-Buten-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.