3-Hydroxy-4-methyl-3-phenyl-1-pentyne
TL;DR: 3-Hydroxy-4-methyl-3-phenyl-1-pentyne (CAS 36698-23-4) 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.
4-methyl-3-phenylpent-1-yn-3-ol
Also Known As: 4-methyl-3-phenylpent-1-yn-3-ol, Pent-1-in-3-ol,-4-methyl-3-phenyl, 1-i-propyl-1-phenyl-prop-2-yn-1-ol, 4-Methyl-3-phenyl-1-pentyn-3-ol #, 3-hydroxy-4-methyl-3-phenyl-1-pentyne
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 36698-23-4 |
|---|---|
| SMILES | CC(C)C(C#C)(C1=CC=CC=C1)O |
| InChIKey | IAMZOCORKMFBSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-4-methyl-3-phenyl-1-pentyne (CAS 36698-23-4), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 4-methyl-3-phenylpent-1-yn-3-ol.
Chemical Property Profile of 3-Hydroxy-4-methyl-3-phenyl-1-pentyne
Property Insights of 3-Hydroxy-4-methyl-3-phenyl-1-pentyne
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-methyl-3-phenyl-1-pentyne. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Hydroxy-4-methyl-3-phenyl-1-pentyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4-methyl-3-phenyl-1-pentyne 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-Hydroxy-4-methyl-3-phenyl-1-pentyne?
The CAS number of 3-Hydroxy-4-methyl-3-phenyl-1-pentyne is 36698-23-4.
What is the molecular formula of 3-Hydroxy-4-methyl-3-phenyl-1-pentyne?
The molecular formula of 3-Hydroxy-4-methyl-3-phenyl-1-pentyne is C12H14O.
What is the molecular weight of 3-Hydroxy-4-methyl-3-phenyl-1-pentyne?
The molecular weight of 3-Hydroxy-4-methyl-3-phenyl-1-pentyne is 174.10 g/mol.
Where can I buy 3-Hydroxy-4-methyl-3-phenyl-1-pentyne?
You can request a quote for 3-Hydroxy-4-methyl-3-phenyl-1-pentyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-methyl-3-phenyl-1-pentyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-methyl-3-phenyl-1-pentyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.