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5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine
TL;DR: 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine (CAS 439096-53-4) is a chemical compound with molecular formula C15H17ClF2N2O2S and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[chloro(difluoro)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-diazepine
Also Known As: Bionet1_000024, MixCom2_000087, 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine, 5-(chlorodifluoromethyl)-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1H-1,4-diazepine, 5-[chloro(difluoro)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-diazepine
| Molecular Formula | C15H17ClF2N2O2S |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 3.40246 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.06674 |
| Heavy Atoms | 23 |
| Complexity | 760.152 |
Chemical Identifiers
| CAS Number | 439096-53-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)Cl)C |
Product Overview
5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine (CAS 439096-53-4), with molecular formula C15H17ClF2N2O2S and molecular weight 362.07 g/mol. IUPAC: 5-[chloro(difluoro)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydro-1,4-diazepine.
Chemical Property Profile of 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine
Property Insights of 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine
The XLogP value of 3.40246 indicates that 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-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, 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-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 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine?
The CAS number of 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine is 439096-53-4.
What is the molecular formula of 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular formula of 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine is C15H17ClF2N2O2S.
What is the molecular weight of 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular weight of 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine is 362.07 g/mol.
Where can I buy 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine?
You can request a quote for 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-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 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5-[chloro(difluoro)methyl]-1-(mesitylsulfonyl)-2,3-dihydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.