Benzene, 1-chloro-4-(1-propynyl)-
TL;DR: Benzene, 1-chloro-4-(1-propynyl)- (CAS 2809-65-6) 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.
1-chloro-4-prop-1-ynylbenzene
Also Known As: 1-chloro-4-prop-1-ynylbenzene, Benzene, 1-chloro-4-(1-propynyl)-, 1-Chloro-4-(1-propyn-1-yl)benzene, ghl.PD_Mitscher_leg0.322, 1-Chloro-4-(1-propynyl)benzene
| Molecular Formula | C9H7Cl |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 3.7 |
| 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 | 152.0 |
Chemical Identifiers
| CAS Number | 2809-65-6 |
|---|---|
| SMILES | CC#CC1=CC=C(C=C1)Cl |
| InChIKey | CLGJQIMOOUFULP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-chloro-4-(1-propynyl)- (CAS 2809-65-6), with molecular formula C9H7Cl and molecular weight 150.02 g/mol. IUPAC: 1-chloro-4-prop-1-ynylbenzene.
Chemical Property Profile of Benzene, 1-chloro-4-(1-propynyl)-
Property Insights of Benzene, 1-chloro-4-(1-propynyl)-
The XLogP value of 3.7 indicates that Benzene, 1-chloro-4-(1-propynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-chloro-4-(1-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-4-(1-propynyl)- 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 Benzene, 1-chloro-4-(1-propynyl)-?
The CAS number of Benzene, 1-chloro-4-(1-propynyl)- is 2809-65-6.
What is the molecular formula of Benzene, 1-chloro-4-(1-propynyl)-?
The molecular formula of Benzene, 1-chloro-4-(1-propynyl)- is C9H7Cl.
What is the molecular weight of Benzene, 1-chloro-4-(1-propynyl)-?
The molecular weight of Benzene, 1-chloro-4-(1-propynyl)- is 150.02 g/mol.
Where can I buy Benzene, 1-chloro-4-(1-propynyl)-?
You can request a quote for Benzene, 1-chloro-4-(1-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-chloro-4-(1-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-4-(1-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.