1-Chloroprop-1-yne
TL;DR: 1-Chloroprop-1-yne (CAS 7747-84-4) is a chemical compound with molecular formula C3H3Cl and molecular weight 73.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloroprop-1-yne
Also Known As: 1-Chloroprop-1-yne, propynyl chloride, CH3C.equiv.CCl, Metylchloroacetylene, 1-CHLOROPROPYNE
| Molecular Formula | C3H3Cl |
|---|---|
| Molecular Weight | 73.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 73.992325 |
| Heavy Atoms | 4 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 7747-84-4 |
|---|---|
| SMILES | CC#CCl |
| InChIKey | OMNGRPHPKWAMSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloroprop-1-yne (CAS 7747-84-4), with molecular formula C3H3Cl and molecular weight 73.99 g/mol. IUPAC: 1-chloroprop-1-yne.
Chemical Property Profile of 1-Chloroprop-1-yne
Property Insights of 1-Chloroprop-1-yne
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloroprop-1-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloroprop-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloroprop-1-yne 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 1-Chloroprop-1-yne?
The CAS number of 1-Chloroprop-1-yne is 7747-84-4.
What is the molecular formula of 1-Chloroprop-1-yne?
The molecular formula of 1-Chloroprop-1-yne is C3H3Cl.
What is the molecular weight of 1-Chloroprop-1-yne?
The molecular weight of 1-Chloroprop-1-yne is 73.99 g/mol.
Where can I buy 1-Chloroprop-1-yne?
You can request a quote for 1-Chloroprop-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloroprop-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloroprop-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.