(3-Chloroprop-1-yn-1-yl)benzene
TL;DR: (3-Chloroprop-1-yn-1-yl)benzene (CAS 33744-29-5) is a chemical compound with molecular formula C9H7Cl and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroprop-1-ynylbenzene
Also Known As: (3-Chloroprop-1-yn-1-yl)benzene, 3-chloroprop-1-ynylbenzene, 3-Chloro-1-phenyl-1-propyne, 1-PHENYL-3-CHLORO-1-PROPYNE, 3-Phenylpropargyl chloride
| Molecular Formula | C9H7Cl |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.02362 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 33744-29-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CCCl |
| InChIKey | RMPSZEZJKSUNKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Chloroprop-1-yn-1-yl)benzene (CAS 33744-29-5), with molecular formula C9H7Cl and molecular weight 150.02 g/mol. IUPAC: 3-chloroprop-1-ynylbenzene.
Chemical Property Profile of (3-Chloroprop-1-yn-1-yl)benzene
Property Insights of (3-Chloroprop-1-yn-1-yl)benzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloroprop-1-yn-1-yl)benzene. With a topological polar surface area (TPSA) of 0.0 Ų, (3-Chloroprop-1-yn-1-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloroprop-1-yn-1-yl)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 (3-Chloroprop-1-yn-1-yl)benzene?
The CAS number of (3-Chloroprop-1-yn-1-yl)benzene is 33744-29-5.
What is the molecular formula of (3-Chloroprop-1-yn-1-yl)benzene?
The molecular formula of (3-Chloroprop-1-yn-1-yl)benzene is C9H7Cl.
What is the molecular weight of (3-Chloroprop-1-yn-1-yl)benzene?
The molecular weight of (3-Chloroprop-1-yn-1-yl)benzene is 150.02 g/mol.
Where can I buy (3-Chloroprop-1-yn-1-yl)benzene?
You can request a quote for (3-Chloroprop-1-yn-1-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloroprop-1-yn-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloroprop-1-yn-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.