(2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate
TL;DR: (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate (CAS 5706-62-7) is a chemical compound with molecular formula C26H34ClNO4S and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butyl-2,6-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
Also Known As: (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate, (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate, (4-tert-Butyl-2,6-dimethylphenyl)methyl 3-(azepane-1-sulfonyl)-4-chlorobenzoate
| Molecular Formula | C26H34ClNO4S |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 6.17604 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.1897 |
| Heavy Atoms | 33 |
| Complexity | 1104.4614 |
Chemical Identifiers
| CAS Number | 5706-62-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C)C(C)(C)C |
Product Overview
(2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate (CAS 5706-62-7), with molecular formula C26H34ClNO4S and molecular weight 491.19 g/mol. IUPAC: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate.
Chemical Property Profile of (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate
Property Insights of (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate
The XLogP value of 6.17604 indicates that (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate. Following Lipinski's Rule of Five, (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate?
The CAS number of (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate is 5706-62-7.
What is the molecular formula of (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate?
The molecular formula of (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate is C26H34ClNO4S.
What is the molecular weight of (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate?
The molecular weight of (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate is 491.19 g/mol.
Where can I buy (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate?
You can request a quote for (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,6-dimethyl-4-tert-butyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.