Benzene, 1-(dibromomethyl)-3-methyl-
TL;DR: Benzene, 1-(dibromomethyl)-3-methyl- (CAS 63512-59-4) is a chemical compound with molecular formula C8H8Br2 and molecular weight 261.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dibromomethyl)-3-methylbenzene
Also Known As: 1-(dibromomethyl)-3-methylbenzene, Benzene, 1-(dibromomethyl)-3-methyl-, alpha,alpha-dibromo-m-xylene, 3-Methyl-1-dibromomethylbenzene, 3-(dibromomethyl)-1-methylbenzene
| Molecular Formula | C8H8Br2 |
|---|---|
| Molecular Weight | 261.90 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.89722 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 63512-59-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(Br)Br |
| InChIKey | JFCIOYXEHZUIHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(dibromomethyl)-3-methyl- (CAS 63512-59-4), with molecular formula C8H8Br2 and molecular weight 261.90 g/mol. IUPAC: 1-(dibromomethyl)-3-methylbenzene.
Chemical Property Profile of Benzene, 1-(dibromomethyl)-3-methyl-
Property Insights of Benzene, 1-(dibromomethyl)-3-methyl-
The XLogP value of 4.3 indicates that Benzene, 1-(dibromomethyl)-3-methyl- 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-(dibromomethyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(dibromomethyl)-3-methyl- 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, 1-(dibromomethyl)-3-methyl-?
The CAS number of Benzene, 1-(dibromomethyl)-3-methyl- is 63512-59-4.
What is the molecular formula of Benzene, 1-(dibromomethyl)-3-methyl-?
The molecular formula of Benzene, 1-(dibromomethyl)-3-methyl- is C8H8Br2.
What is the molecular weight of Benzene, 1-(dibromomethyl)-3-methyl-?
The molecular weight of Benzene, 1-(dibromomethyl)-3-methyl- is 261.90 g/mol.
Where can I buy Benzene, 1-(dibromomethyl)-3-methyl-?
You can request a quote for Benzene, 1-(dibromomethyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(dibromomethyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(dibromomethyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.