3,3-Dichloropropyne
TL;DR: 3,3-Dichloropropyne (CAS 25523-14-2) is a chemical compound with molecular formula C3H2Cl2 and molecular weight 107.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloroprop-1-yne
Also Known As: 3,3-DICHLOROPROPYNE, 3,3-dichloroprop-1-yne, Propyne, 3,3-dichloro-, 3,3-Dichloro-1-propyne, 3,3-Dichloro-1-propyne #
| Molecular Formula | C3H2Cl2 |
|---|---|
| Molecular Weight | 107.95 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.953354 |
| Heavy Atoms | 5 |
| Complexity | 56.0 |
Chemical Identifiers
| CAS Number | 25523-14-2 |
|---|---|
| SMILES | C#CC(Cl)Cl |
| InChIKey | ZPKJNYZSDAWAEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dichloropropyne (CAS 25523-14-2), with molecular formula C3H2Cl2 and molecular weight 107.95 g/mol. IUPAC: 3,3-dichloroprop-1-yne.
Chemical Property Profile of 3,3-Dichloropropyne
Property Insights of 3,3-Dichloropropyne
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichloropropyne. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-Dichloropropyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichloropropyne has 0 hydrogen bond donor(s) and 0 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 3,3-Dichloropropyne?
The CAS number of 3,3-Dichloropropyne is 25523-14-2.
What is the molecular formula of 3,3-Dichloropropyne?
The molecular formula of 3,3-Dichloropropyne is C3H2Cl2.
What is the molecular weight of 3,3-Dichloropropyne?
The molecular weight of 3,3-Dichloropropyne is 107.95 g/mol.
Where can I buy 3,3-Dichloropropyne?
You can request a quote for 3,3-Dichloropropyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dichloropropyne?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichloropropyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.