1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
TL;DR: 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 439112-03-5) is a chemical compound with molecular formula C15H17F3N2O2S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-diazepine
Also Known As: 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, 5-(trifluoromethyl)-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1H-1,4-diazepine, 5-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-diazepine, 5-(trifluoromethyl)-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1,4-diazepine, C15H17F3N2O2S
| Molecular Formula | C15H17F3N2O2S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.13316 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.09628 |
| Heavy Atoms | 23 |
| Complexity | 757.3971 |
Chemical Identifiers
| CAS Number | 439112-03-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F)C |
Product Overview
1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 439112-03-5), with molecular formula C15H17F3N2O2S and molecular weight 346.10 g/mol. IUPAC: 5-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-diazepine.
Chemical Property Profile of 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Property Insights of 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
The XLogP value of 3.13316 indicates that 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine has 0 hydrogen bond donor(s) and 3 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-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The CAS number of 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 439112-03-5.
What is the molecular formula of 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular formula of 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is C15H17F3N2O2S.
What is the molecular weight of 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular weight of 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 346.10 g/mol.
Where can I buy 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
You can request a quote for 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 1-(mesitylsulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.