3-Chloropent-1-yne
TL;DR: 3-Chloropent-1-yne (CAS 14035-68-8) is a chemical compound with molecular formula C5H7Cl and molecular weight 102.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropent-1-yne
Also Known As: 3-chloropent-1-yne, 3-Chloro-1-pentyne, 3-Chlor-pent-1-in
| Molecular Formula | C5H7Cl |
|---|---|
| Molecular Weight | 102.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.02363 |
| Heavy Atoms | 6 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 14035-68-8 |
|---|---|
| SMILES | CCC(C#C)Cl |
| InChIKey | OFMZMTGQSMVBDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloropent-1-yne (CAS 14035-68-8), with molecular formula C5H7Cl and molecular weight 102.02 g/mol. IUPAC: 3-chloropent-1-yne.
Chemical Property Profile of 3-Chloropent-1-yne
Property Insights of 3-Chloropent-1-yne
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloropent-1-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Chloropent-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropent-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 3-Chloropent-1-yne?
The CAS number of 3-Chloropent-1-yne is 14035-68-8.
What is the molecular formula of 3-Chloropent-1-yne?
The molecular formula of 3-Chloropent-1-yne is C5H7Cl.
What is the molecular weight of 3-Chloropent-1-yne?
The molecular weight of 3-Chloropent-1-yne is 102.02 g/mol.
Where can I buy 3-Chloropent-1-yne?
You can request a quote for 3-Chloropent-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropent-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropent-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.