5-Chloro-pent-3-en-1-ynyl-benzene
TL;DR: 5-Chloro-pent-3-en-1-ynyl-benzene (CAS 64907-51-3) is a chemical compound with molecular formula C11H9Cl and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloropent-3-en-1-ynylbenzene
Also Known As: 5-chloropent-3-en-1-ynylbenzene, 5-chloro-pent-3-en-1-ynyl-benzene, Benzene, (5-chloro-3-penten-1-ynyl)-
| Molecular Formula | C11H9Cl |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.03928 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 64907-51-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC=CCCl |
| InChIKey | BBGIOOYFTFYQIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-pent-3-en-1-ynyl-benzene (CAS 64907-51-3), with molecular formula C11H9Cl and molecular weight 176.04 g/mol. IUPAC: 5-chloropent-3-en-1-ynylbenzene.
Chemical Property Profile of 5-Chloro-pent-3-en-1-ynyl-benzene
Property Insights of 5-Chloro-pent-3-en-1-ynyl-benzene
The XLogP value of 3.3 indicates that 5-Chloro-pent-3-en-1-ynyl-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Chloro-pent-3-en-1-ynyl-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-pent-3-en-1-ynyl-benzene 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 5-Chloro-pent-3-en-1-ynyl-benzene?
The CAS number of 5-Chloro-pent-3-en-1-ynyl-benzene is 64907-51-3.
What is the molecular formula of 5-Chloro-pent-3-en-1-ynyl-benzene?
The molecular formula of 5-Chloro-pent-3-en-1-ynyl-benzene is C11H9Cl.
What is the molecular weight of 5-Chloro-pent-3-en-1-ynyl-benzene?
The molecular weight of 5-Chloro-pent-3-en-1-ynyl-benzene is 176.04 g/mol.
Where can I buy 5-Chloro-pent-3-en-1-ynyl-benzene?
You can request a quote for 5-Chloro-pent-3-en-1-ynyl-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-pent-3-en-1-ynyl-benzene?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-pent-3-en-1-ynyl-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.