Tolylpent-1-yn-4-ol
TL;DR: Tolylpent-1-yn-4-ol (CAS 57355-73-4) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)pent-4-yn-2-ol
Also Known As: Tolylpent-1-yn-4-ol, 5-(4-methylphenyl)pent-4-yn-2-ol, 5-p-Tolyl-pent-4-yn-2-ol, 4-Pentyn-2-ol, 5-(4-methylphenyl)-, 5-(4-Methylphenyl)-4-pentyn-2-ol #
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 57355-73-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C#CCC(C)O |
| InChIKey | BDNSYEJAHWAINU-UHFFFAOYSA-N |
Product Overview
Tolylpent-1-yn-4-ol (CAS 57355-73-4), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 5-(4-methylphenyl)pent-4-yn-2-ol.
Chemical Property Profile of Tolylpent-1-yn-4-ol
Property Insights of Tolylpent-1-yn-4-ol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tolylpent-1-yn-4-ol. With a topological polar surface area (TPSA) of 20.2 Ų, Tolylpent-1-yn-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tolylpent-1-yn-4-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 Tolylpent-1-yn-4-ol?
The CAS number of Tolylpent-1-yn-4-ol is 57355-73-4.
What is the molecular formula of Tolylpent-1-yn-4-ol?
The molecular formula of Tolylpent-1-yn-4-ol is C12H14O.
What is the molecular weight of Tolylpent-1-yn-4-ol?
The molecular weight of Tolylpent-1-yn-4-ol is 174.10 g/mol.
Where can I buy Tolylpent-1-yn-4-ol?
You can request a quote for Tolylpent-1-yn-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolylpent-1-yn-4-ol?
Yes, KEHONG BIO provides custom synthesis services for Tolylpent-1-yn-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.