1,3,5-Tri(alpha-chloromethyl)benzene
TL;DR: 1,3,5-Tri(alpha-chloromethyl)benzene (CAS 17299-97-7) is a chemical compound with molecular formula C9H9Cl3 and molecular weight 221.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(chloromethyl)benzene
Also Known As: 1,3,5-tris(chloromethyl)benzene, Benzene,1,3,5-tris(chloromethyl)-, 1,3,5-TRI(ALPHA-CHLOROMETHYL)BENZENE, 1,3,5-trichloromethylbenzene, 1,3,5-tri(chloromethyl)benzene
| Molecular Formula | C9H9Cl3 |
|---|---|
| Molecular Weight | 221.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.97699 |
| Heavy Atoms | 12 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 17299-97-7 |
|---|---|
| SMILES | C1=C(C=C(C=C1CCl)CCl)CCl |
| InChIKey | PJKMOHIGRNELRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Tri(alpha-chloromethyl)benzene (CAS 17299-97-7), with molecular formula C9H9Cl3 and molecular weight 221.98 g/mol. IUPAC: 1,3,5-tris(chloromethyl)benzene.
Chemical Property Profile of 1,3,5-Tri(alpha-chloromethyl)benzene
Property Insights of 1,3,5-Tri(alpha-chloromethyl)benzene
The XLogP value of 3.1 indicates that 1,3,5-Tri(alpha-chloromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-Tri(alpha-chloromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Tri(alpha-chloromethyl)benzene 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 1,3,5-Tri(alpha-chloromethyl)benzene?
The CAS number of 1,3,5-Tri(alpha-chloromethyl)benzene is 17299-97-7.
What is the molecular formula of 1,3,5-Tri(alpha-chloromethyl)benzene?
The molecular formula of 1,3,5-Tri(alpha-chloromethyl)benzene is C9H9Cl3.
What is the molecular weight of 1,3,5-Tri(alpha-chloromethyl)benzene?
The molecular weight of 1,3,5-Tri(alpha-chloromethyl)benzene is 221.98 g/mol.
Where can I buy 1,3,5-Tri(alpha-chloromethyl)benzene?
You can request a quote for 1,3,5-Tri(alpha-chloromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tri(alpha-chloromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tri(alpha-chloromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.