2,3-Butadien-1-ol
TL;DR: 2,3-Butadien-1-ol (CAS 18913-31-0) 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.
buta-2,3-dien-1-ol
Also Known As: 2,3-Butadien-1-ol, buta-2,3-dien-1-ol, Hydroxymethylallene, (Hydroxymethyl)allene, 1,2-Butadien-4-ol
| Molecular Formula | C4H6O |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | -0.2 |
| 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 | 50.0 |
Chemical Identifiers
| CAS Number | 18913-31-0 |
|---|---|
| SMILES | C=C=CCO |
| InChIKey | JXKCVRNKAPHWJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Butadien-1-ol (CAS 18913-31-0), with molecular formula C4H6O and molecular weight 70.04 g/mol. IUPAC: buta-2,3-dien-1-ol.
Chemical Property Profile of 2,3-Butadien-1-ol
Property Insights of 2,3-Butadien-1-ol
The XLogP value of -0.2 indicates that 2,3-Butadien-1-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, 2,3-Butadien-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Butadien-1-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 2,3-Butadien-1-ol?
The CAS number of 2,3-Butadien-1-ol is 18913-31-0.
What is the molecular formula of 2,3-Butadien-1-ol?
The molecular formula of 2,3-Butadien-1-ol is C4H6O.
What is the molecular weight of 2,3-Butadien-1-ol?
The molecular weight of 2,3-Butadien-1-ol is 70.04 g/mol.
Where can I buy 2,3-Butadien-1-ol?
You can request a quote for 2,3-Butadien-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Butadien-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Butadien-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.