2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol
TL;DR: 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol (CAS 52535-35-0) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(6-methyl-3-pyridinyl)but-3-yn-2-ol
Also Known As: Piperidine,4,4-diethoxy, 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridyl)-, 2-methyl-4-(6-methylpyridin-3-yl)but-3-yn-2-ol, 3-Butyn-2-ol, 2-methyl-4-(6-methyl-3-pyridinyl)-, 2-Methyl-4-(6-methyl-3-pyridyl)-3-butyne-2-ol
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 52535-35-0 |
|---|---|
| SMILES | CC1=NC=C(C=C1)C#CC(C)(C)O |
| InChIKey | KJJAFWJUOBJLAZ-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol (CAS 52535-35-0), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 2-methyl-4-(6-methyl-3-pyridinyl)but-3-yn-2-ol.
Chemical Property Profile of 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol
Property Insights of 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol. With a topological polar surface area (TPSA) of 33.1 Ų, 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-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 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol?
The CAS number of 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol is 52535-35-0.
What is the molecular formula of 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol?
The molecular formula of 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol is C11H13NO.
What is the molecular weight of 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol?
The molecular weight of 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol is 175.10 g/mol.
Where can I buy 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol?
You can request a quote for 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(6-methyl-3-pyridinyl)-3-butyn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.