5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol
TL;DR: 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol (CAS 309283-92-9) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-3-methylpent-1-yn-3-ol
Also Known As: ZERO/001439, 5-(1,3-benzodioxol-5-yl)-3-methylpent-1-yn-3-ol, 5-(Benzo[d][1,3]dioxol-5-yl)-3-methylpent-1-yn-3-ol, 5-(1,3-benzodioxol-5-yl)-3-methyl-pent-1-yn-3-ol, 5-(2H-1,3-BENZODIOXOL-5-YL)-3-METHYLPENT-1-YN-3-OL
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.7321 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 429.29413 |
Chemical Identifiers
| CAS Number | 309283-92-9 |
|---|---|
| SMILES | CC(CCC1=CC2=C(C=C1)OCO2)(C#C)O |
Product Overview
5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol (CAS 309283-92-9), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-3-methylpent-1-yn-3-ol.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol
Property Insights of 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol
The XLogP value of 1.7321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol. With a topological polar surface area (TPSA) of 38.69 Ų, 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol has 1 hydrogen bond donor(s) and 3 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 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol?
The CAS number of 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol is 309283-92-9.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol is C13H14O3.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol is 218.09 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol?
You can request a quote for 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)-3-methylpent-1-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.