1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene
TL;DR: 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene (CAS 102117-72-6) is a chemical compound with molecular formula C12H12Cl2O and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene
Also Known As: 1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene, Benzene, 1-(3-chloro-2-propen-1-yl)-2-[(3-chloro-2-propen-1-yl)oxy]-
| Molecular Formula | C12H12Cl2O |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.02652 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 102117-72-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC=CCl)OCC=CCl |
| InChIKey | KIWTZDFZMHCFLK-UHFFFAOYSA-N |
Product Overview
1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene (CAS 102117-72-6), with molecular formula C12H12Cl2O and molecular weight 242.03 g/mol. IUPAC: 1-(3-chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene.
Chemical Property Profile of 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene
Property Insights of 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene
The XLogP value of 4.2 indicates that 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene has 0 hydrogen bond donor(s) and 1 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-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene?
The CAS number of 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene is 102117-72-6.
What is the molecular formula of 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene?
The molecular formula of 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene is C12H12Cl2O.
What is the molecular weight of 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene?
The molecular weight of 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene is 242.03 g/mol.
Where can I buy 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene?
You can request a quote for 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloroprop-2-enoxy)-2-(3-chloroprop-2-enyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.