3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol
TL;DR: 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol (CAS 52535-37-2) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4-trimethyl-1-(6-methyl-3-pyridinyl)pent-1-yn-3-ol
Also Known As: 3,4,4-trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 52535-37-2 |
|---|---|
| SMILES | CC1=NC=C(C=C1)C#CC(C)(C(C)(C)C)O |
| InChIKey | CJVPITOXSQRPMF-UHFFFAOYSA-N |
Product Overview
3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol (CAS 52535-37-2), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 3,4,4-trimethyl-1-(6-methyl-3-pyridinyl)pent-1-yn-3-ol.
Chemical Property Profile of 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol
Property Insights of 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol. With a topological polar surface area (TPSA) of 33.1 Ų, 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol has 1 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 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol?
The CAS number of 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol is 52535-37-2.
What is the molecular formula of 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol?
The molecular formula of 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol is C14H19NO.
What is the molecular weight of 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol?
The molecular weight of 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol is 217.15 g/mol.
Where can I buy 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol?
You can request a quote for 3,4,4-Trimethyl-1-(6-methylpyridin-3-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 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-Trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.