3-Butene-1,2-diol
TL;DR: 3-Butene-1,2-diol (CAS 497-06-3) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ene-1,2-diol
Also Known As: 3-BUTENE-1,2-DIOL, but-3-ene-1,2-diol, Erythrol, 1-Butene-3,4-diol, 3,4-Dihydroxy-1-butene
| Molecular Formula | C4H8O2 |
|---|---|
| Molecular Weight | 88.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.05243 |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
| Vapor Pressure | 0.24 [mmHg] |
Chemical Identifiers
| CAS Number | 497-06-3 |
|---|---|
| SMILES | C=CC(CO)O |
| InChIKey | ITMIAZBRRZANGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butene-1,2-diol (CAS 497-06-3), with molecular formula C4H8O2 and molecular weight 88.05 g/mol. IUPAC: but-3-ene-1,2-diol.
Chemical Property Profile of 3-Butene-1,2-diol
Property Insights of 3-Butene-1,2-diol
The XLogP value of -0.5 indicates that 3-Butene-1,2-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Butene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butene-1,2-diol has 2 hydrogen bond donor(s) and 2 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-Butene-1,2-diol?
The CAS number of 3-Butene-1,2-diol is 497-06-3.
What is the molecular formula of 3-Butene-1,2-diol?
The molecular formula of 3-Butene-1,2-diol is C4H8O2.
What is the molecular weight of 3-Butene-1,2-diol?
The molecular weight of 3-Butene-1,2-diol is 88.05 g/mol.
Where can I buy 3-Butene-1,2-diol?
You can request a quote for 3-Butene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Butene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.