Benzene, 1,3-bis-(chloromethyl)-5-methyl
TL;DR: Benzene, 1,3-bis-(chloromethyl)-5-methyl (CAS 79539-14-3) 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.
1,3-bis(chloromethyl)-5-methylbenzene
Also Known As: 3,5-dichloromethyl toluene, Benzene, 1,3-bis-(chloromethyl)-5-methyl, 1,3-bis(chloromethyl)-5-methylbenzene, 1,3-bis-chloromethyl-5-methyl-benzene
| Molecular Formula | C9H10Cl2 |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.01596 |
| Heavy Atoms | 11 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 79539-14-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)CCl)CCl |
| InChIKey | LGXPFAXLKHUHJX-UHFFFAOYSA-N |
Product Overview
Benzene, 1,3-bis-(chloromethyl)-5-methyl (CAS 79539-14-3), with molecular formula C9H10Cl2 and molecular weight 188.02 g/mol. IUPAC: 1,3-bis(chloromethyl)-5-methylbenzene.
Chemical Property Profile of Benzene, 1,3-bis-(chloromethyl)-5-methyl
Property Insights of Benzene, 1,3-bis-(chloromethyl)-5-methyl
The XLogP value of 3.1 indicates that Benzene, 1,3-bis-(chloromethyl)-5-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, 1,3-bis-(chloromethyl)-5-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-bis-(chloromethyl)-5-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, 1,3-bis-(chloromethyl)-5-methyl?
The CAS number of Benzene, 1,3-bis-(chloromethyl)-5-methyl is 79539-14-3.
What is the molecular formula of Benzene, 1,3-bis-(chloromethyl)-5-methyl?
The molecular formula of Benzene, 1,3-bis-(chloromethyl)-5-methyl is C9H10Cl2.
What is the molecular weight of Benzene, 1,3-bis-(chloromethyl)-5-methyl?
The molecular weight of Benzene, 1,3-bis-(chloromethyl)-5-methyl is 188.02 g/mol.
Where can I buy Benzene, 1,3-bis-(chloromethyl)-5-methyl?
You can request a quote for Benzene, 1,3-bis-(chloromethyl)-5-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-bis-(chloromethyl)-5-methyl?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-bis-(chloromethyl)-5-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.