![3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol structure](/static/products/7117/71172-36-6.webp)
3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol
TL;DR: 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol (CAS 71172-36-6) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bicyclo[2.2.1]hept-5-enyl)pent-1-yn-3-ol
Also Known As: 3-(bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol, 3-(5-bicyclo[2.2.1]hept-2-enyl)pent-1-yn-3-ol
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 71172-36-6 |
|---|---|
| SMILES | CCC(C#C)(C1CC2CC1C=C2)O |
| InChIKey | XFVFCOBBHGSMML-UHFFFAOYSA-N |
Product Overview
3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol (CAS 71172-36-6), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3-(2-bicyclo[2.2.1]hept-5-enyl)pent-1-yn-3-ol.
Chemical Property Profile of 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol
Property Insights of 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-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-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol?
The CAS number of 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol is 71172-36-6.
What is the molecular formula of 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol?
The molecular formula of 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol is C12H16O.
What is the molecular weight of 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol?
The molecular weight of 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol is 176.12 g/mol.
Where can I buy 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol?
You can request a quote for 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-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 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.