3,4-Dichlorocumene
TL;DR: 3,4-Dichlorocumene (CAS 2077-14-7) 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.
1,2-dichloro-4-propan-2-ylbenzene
Also Known As: 3,4-Dichlorocumene, Cumene, 3,4-dichloro-, 1,2-Dichloro-4-isopropylbenzene, 1,2-dichloro-4-propan-2-ylbenzene, 1,2-dichloro-4-(propan-2-yl)benzene
| Molecular Formula | C9H10Cl2 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.01596 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 2077-14-7 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | DQZUIRYHGMGWFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorocumene (CAS 2077-14-7), with molecular formula C9H10Cl2 and molecular weight 188.02 g/mol. IUPAC: 1,2-dichloro-4-propan-2-ylbenzene.
Chemical Property Profile of 3,4-Dichlorocumene
Property Insights of 3,4-Dichlorocumene
The XLogP value of 4.8 indicates that 3,4-Dichlorocumene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dichlorocumene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorocumene 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 3,4-Dichlorocumene?
The CAS number of 3,4-Dichlorocumene is 2077-14-7.
What is the molecular formula of 3,4-Dichlorocumene?
The molecular formula of 3,4-Dichlorocumene is C9H10Cl2.
What is the molecular weight of 3,4-Dichlorocumene?
The molecular weight of 3,4-Dichlorocumene is 188.02 g/mol.
Where can I buy 3,4-Dichlorocumene?
You can request a quote for 3,4-Dichlorocumene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorocumene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorocumene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.