Benzene, 3,3-dichloropropyl-
TL;DR: Benzene, 3,3-dichloropropyl- (CAS 54789-13-8) is a chemical compound with molecular formula C9H10Cl2 and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloropropylbenzene
Also Known As: (3,3-dichloropropyl)benzene, 3,3-dichloropropylbenzene, dichloropropylbenzene, Benzene, 3,3-dichloropropyl-, 3-Phenylpropylidene dichloride
| Molecular Formula | C9H10Cl2 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.01596 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 54789-13-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(Cl)Cl |
| InChIKey | GUYHQZNNAAQUTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 3,3-dichloropropyl- (CAS 54789-13-8), with molecular formula C9H10Cl2 and molecular weight 188.02 g/mol. IUPAC: 3,3-dichloropropylbenzene.
Chemical Property Profile of Benzene, 3,3-dichloropropyl-
Property Insights of Benzene, 3,3-dichloropropyl-
The XLogP value of 3.5 indicates that Benzene, 3,3-dichloropropyl- 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, 3,3-dichloropropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 3,3-dichloropropyl- 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, 3,3-dichloropropyl-?
The CAS number of Benzene, 3,3-dichloropropyl- is 54789-13-8.
What is the molecular formula of Benzene, 3,3-dichloropropyl-?
The molecular formula of Benzene, 3,3-dichloropropyl- is C9H10Cl2.
What is the molecular weight of Benzene, 3,3-dichloropropyl-?
The molecular weight of Benzene, 3,3-dichloropropyl- is 188.02 g/mol.
Where can I buy Benzene, 3,3-dichloropropyl-?
You can request a quote for Benzene, 3,3-dichloropropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 3,3-dichloropropyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 3,3-dichloropropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.