Undec-4-yn-3-ol
TL;DR: Undec-4-yn-3-ol (CAS 91295-77-1) is a chemical compound with molecular formula C11H20O and molecular weight 168.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undec-4-yn-3-ol
Also Known As: undec-4-yn-3-ol, 4-Undecyn-3-ol, 4-Undecyne-3-ol, J1.975.838I
| Molecular Formula | C11H20O |
|---|---|
| Molecular Weight | 168.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.15141 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 91295-77-1 |
|---|---|
| SMILES | CCCCCCC#CC(CC)O |
| InChIKey | DWQXAHIKMKJKDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Undec-4-yn-3-ol (CAS 91295-77-1), with molecular formula C11H20O and molecular weight 168.15 g/mol. IUPAC: undec-4-yn-3-ol.
Chemical Property Profile of Undec-4-yn-3-ol
Property Insights of Undec-4-yn-3-ol
The XLogP value of 3.7 indicates that Undec-4-yn-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Undec-4-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Undec-4-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 Undec-4-yn-3-ol?
The CAS number of Undec-4-yn-3-ol is 91295-77-1.
What is the molecular formula of Undec-4-yn-3-ol?
The molecular formula of Undec-4-yn-3-ol is C11H20O.
What is the molecular weight of Undec-4-yn-3-ol?
The molecular weight of Undec-4-yn-3-ol is 168.15 g/mol.
Where can I buy Undec-4-yn-3-ol?
You can request a quote for Undec-4-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 Undec-4-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for Undec-4-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.