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Benzene, [(1E)-3,3-dichloro-1-propenyl]-
TL;DR: Benzene, [(1E)-3,3-dichloro-1-propenyl]- (CAS 51157-80-3) is a chemical compound with molecular formula C9H8Cl2 and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloroprop-1-enylbenzene
Also Known As: Cinnamalchlorid, trans-Cinnamylidendichlorid, 3,3-dichloroprop-1-enylbenzene, Benzene, [(1E)-3,3-dichloro-1-propenyl]-, (3,3-DICHLOROPROP-1-EN-1-YL)BENZENE
| Molecular Formula | C9H8Cl2 |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.0003 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 51157-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(Cl)Cl |
| InChIKey | PLNSKVFVQQBEMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, [(1E)-3,3-dichloro-1-propenyl]- (CAS 51157-80-3), with molecular formula C9H8Cl2 and molecular weight 186.00 g/mol. IUPAC: 3,3-dichloroprop-1-enylbenzene.
Chemical Property Profile of Benzene, [(1E)-3,3-dichloro-1-propenyl]-
Property Insights of Benzene, [(1E)-3,3-dichloro-1-propenyl]-
The XLogP value of 3.9 indicates that Benzene, [(1E)-3,3-dichloro-1-propenyl]- 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, [(1E)-3,3-dichloro-1-propenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [(1E)-3,3-dichloro-1-propenyl]- 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, [(1E)-3,3-dichloro-1-propenyl]-?
The CAS number of Benzene, [(1E)-3,3-dichloro-1-propenyl]- is 51157-80-3.
What is the molecular formula of Benzene, [(1E)-3,3-dichloro-1-propenyl]-?
The molecular formula of Benzene, [(1E)-3,3-dichloro-1-propenyl]- is C9H8Cl2.
What is the molecular weight of Benzene, [(1E)-3,3-dichloro-1-propenyl]-?
The molecular weight of Benzene, [(1E)-3,3-dichloro-1-propenyl]- is 186.00 g/mol.
Where can I buy Benzene, [(1E)-3,3-dichloro-1-propenyl]-?
You can request a quote for Benzene, [(1E)-3,3-dichloro-1-propenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [(1E)-3,3-dichloro-1-propenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [(1E)-3,3-dichloro-1-propenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.