1-(2,4-Dichlorophenyl)prop-2-yn-1-ol
TL;DR: 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol (CAS 35107-31-4) is a chemical compound with molecular formula C9H6Cl2O and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)prop-2-yn-1-ol
Also Known As: 1-(2,4-dichlorophenyl)prop-2-yn-1-ol, KST-1B3446, 1-(2,4-Dichlorophenyl)-2-propyne-1-ol, Benzenemethanol, 2,4-dichloro-alpha-ethynyl-, J1.929.125A
| Molecular Formula | C9H6Cl2O |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.97957 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 35107-31-4 |
|---|---|
| SMILES | C#CC(C1=C(C=C(C=C1)Cl)Cl)O |
| InChIKey | ZKTZQWUICGZQHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,4-Dichlorophenyl)prop-2-yn-1-ol (CAS 35107-31-4), with molecular formula C9H6Cl2O and molecular weight 199.98 g/mol. IUPAC: 1-(2,4-dichlorophenyl)prop-2-yn-1-ol.
Chemical Property Profile of 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol
Property Insights of 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dichlorophenyl)prop-2-yn-1-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 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol?
The CAS number of 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol is 35107-31-4.
What is the molecular formula of 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol?
The molecular formula of 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol is C9H6Cl2O.
What is the molecular weight of 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol?
The molecular weight of 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol is 199.98 g/mol.
Where can I buy 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol?
You can request a quote for 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dichlorophenyl)prop-2-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.