3-Methylbut-3-ene-1,2-diol
TL;DR: 3-Methylbut-3-ene-1,2-diol (CAS 38585-87-4) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-3-ene-1,2-diol
Also Known As: 3-methylbut-3-ene-1,2-diol, 3-Methyl-3-butene-1,2-diol, 3-Butene-1,2-diol, 3-methyl-, 1,2-dihydroxy-3-methyl-3-butene
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 38585-87-4 |
|---|---|
| SMILES | CC(=C)C(CO)O |
| InChIKey | HBHXLSPUXXXICF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbut-3-ene-1,2-diol (CAS 38585-87-4), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 3-methylbut-3-ene-1,2-diol.
Chemical Property Profile of 3-Methylbut-3-ene-1,2-diol
Property Insights of 3-Methylbut-3-ene-1,2-diol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbut-3-ene-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Methylbut-3-ene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbut-3-ene-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-Methylbut-3-ene-1,2-diol?
The CAS number of 3-Methylbut-3-ene-1,2-diol is 38585-87-4.
What is the molecular formula of 3-Methylbut-3-ene-1,2-diol?
The molecular formula of 3-Methylbut-3-ene-1,2-diol is C5H10O2.
What is the molecular weight of 3-Methylbut-3-ene-1,2-diol?
The molecular weight of 3-Methylbut-3-ene-1,2-diol is 102.07 g/mol.
Where can I buy 3-Methylbut-3-ene-1,2-diol?
You can request a quote for 3-Methylbut-3-ene-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-Methylbut-3-ene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbut-3-ene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.