![1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine structure](/static/products/4782/478259-66-4.webp)
1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
TL;DR: 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 478259-66-4) is a chemical compound with molecular formula C12H10BrF3N2O2S and molecular weight 381.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine
Also Known As: Bionet1_004771, 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, 1-(4-bromophenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine, 1-(4-bromobenzenesulfonyl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, 8R-0312
| Molecular Formula | C12H10BrF3N2O2S |
|---|---|
| Molecular Weight | 381.96 g/mol |
| LogP | 2.9704 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.95984 |
| Heavy Atoms | 21 |
| Complexity | 681.4492 |
Chemical Identifiers
| CAS Number | 478259-66-4 |
|---|---|
| SMILES | C1CN(C=CC(=N1)C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 478259-66-4), with molecular formula C12H10BrF3N2O2S and molecular weight 381.96 g/mol. IUPAC: 1-(4-bromophenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydro-1,4-diazepine.
Chemical Property Profile of 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Property Insights of 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
The XLogP value of 2.9704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine. With a topological polar surface area (TPSA) of 49.74 Ų, 1-[(4-bromophenyl)sulfonyl]-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-[(4-bromophenyl)sulfonyl]-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-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The CAS number of 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 478259-66-4.
What is the molecular formula of 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular formula of 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is C12H10BrF3N2O2S.
What is the molecular weight of 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
The molecular weight of 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine is 381.96 g/mol.
Where can I buy 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
You can request a quote for 1-[(4-bromophenyl)sulfonyl]-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-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-bromophenyl)sulfonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.