Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-
TL;DR: Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- (CAS 13908-89-9) is a chemical compound with molecular formula C10H9Cl3 and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4-trichloro-2-methyl-5-prop-1-en-2-ylbenzene
Also Known As: 2,3,6-Trichloro-p-cymenene, KST-1B0371, 1,3,4-trichloro-2-methyl-5-(prop-1-en-2-yl)benzene, 1,3,4-trichloro-2-methyl-5-prop-1-en-2-ylbenzene, Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-
| Molecular Formula | C10H9Cl3 |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.97699 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 13908-89-9 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1Cl)Cl)C(=C)C)Cl |
| InChIKey | VEAMJHYXUIXLGF-UHFFFAOYSA-N |
Product Overview
Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- (CAS 13908-89-9), with molecular formula C10H9Cl3 and molecular weight 233.98 g/mol. IUPAC: 1,3,4-trichloro-2-methyl-5-prop-1-en-2-ylbenzene.
Chemical Property Profile of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-
Property Insights of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-
The XLogP value of 5.6 indicates that Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- 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, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- 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, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-?
The CAS number of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- is 13908-89-9.
What is the molecular formula of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-?
The molecular formula of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- is C10H9Cl3.
What is the molecular weight of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-?
The molecular weight of Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- is 233.98 g/mol.
Where can I buy Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-?
You can request a quote for Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3,4-trichloro-2-methyl-5-(1-methylethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.