Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-
TL;DR: Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- (CAS 146558-43-2) is a chemical compound with molecular formula C12H15Cl and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(3,3-dimethylbut-1-en-2-yl)benzene
Also Known As: Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-, 1-chloro-3-(3,3-dimethylbut-1-en-2-yl)benzene, 3,3-Dimethyl-2-(3-chlorophenyl)-1-butene, J1.076.188C
| Molecular Formula | C12H15Cl |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.08623 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 146558-43-2 |
|---|---|
| SMILES | CC(C)(C)C(=C)C1=CC(=CC=C1)Cl |
| InChIKey | XROWFHHSVOICSU-UHFFFAOYSA-N |
Product Overview
Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- (CAS 146558-43-2), with molecular formula C12H15Cl and molecular weight 194.09 g/mol. IUPAC: 1-chloro-3-(3,3-dimethylbut-1-en-2-yl)benzene.
Chemical Property Profile of Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-
Property Insights of Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-
The XLogP value of 5.6 indicates that Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- 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-3-(2,2-dimethyl-1-methylenepropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-?
The CAS number of Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- is 146558-43-2.
What is the molecular formula of Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-?
The molecular formula of Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- is C12H15Cl.
What is the molecular weight of Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-?
The molecular weight of Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- is 194.09 g/mol.
Where can I buy Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-?
You can request a quote for Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- 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-3-(2,2-dimethyl-1-methylenepropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.