2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate
TL;DR: 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate (CAS 499196-83-7) is a chemical compound with molecular formula C17H16Cl2O2 and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-3-methyl-6-propan-2-ylphenyl) 2-chlorobenzoate
Also Known As: 2-chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate, AO-854/40796626, (2-chloro-3-methyl-6-propan-2-ylphenyl) 2-chlorobenzoate
| Molecular Formula | C17H16Cl2O2 |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 5.64442 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.05273 |
| Heavy Atoms | 21 |
| Complexity | 678.4855 |
Chemical Identifiers
| CAS Number | 499196-83-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OC(=O)C2=CC=CC=C2Cl)Cl |
Product Overview
2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate (CAS 499196-83-7), with molecular formula C17H16Cl2O2 and molecular weight 322.05 g/mol. IUPAC: (2-chloro-3-methyl-6-propan-2-ylphenyl) 2-chlorobenzoate.
Chemical Property Profile of 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate
Property Insights of 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate
The XLogP value of 5.64442 indicates that 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate?
The CAS number of 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate is 499196-83-7.
What is the molecular formula of 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate?
The molecular formula of 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate is C17H16Cl2O2.
What is the molecular weight of 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate?
The molecular weight of 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate is 322.05 g/mol.
Where can I buy 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate?
You can request a quote for 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-isopropyl-3-methylphenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.