![1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one structure](/static/products/7225/7225-73-2.webp)
1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one
TL;DR: 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one (CAS 7225-73-2) is a chemical compound with molecular formula C11H14F6N2O5S2 and molecular weight 432.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one
Also Known As: 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one, 1,5-Bis(trifluoromethanesulfonyl)decahydro-3H-1,5-benzodiazepin-3-one, 2,6-bis(trifluoromethylsulfonyl)-2,6-diazabicyclo[5.4.0]undecan-4-one
| Molecular Formula | C11H14F6N2O5S2 |
|---|---|
| Molecular Weight | 432.02 g/mol |
| LogP | 1.1835 |
| Topological Polar Surface Area | 91.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 432.02484 |
| Heavy Atoms | 26 |
| Complexity | 711.8787 |
Chemical Identifiers
| CAS Number | 7225-73-2 |
|---|---|
| SMILES | C1CCC2C(C1)N(CC(=O)CN2S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
Product Overview
1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one (CAS 7225-73-2), with molecular formula C11H14F6N2O5S2 and molecular weight 432.02 g/mol. IUPAC: 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one.
Chemical Property Profile of 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one
Property Insights of 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one
The XLogP value of 1.1835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one. The TPSA of 91.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one. Following Lipinski's Rule of Five, 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one has 0 hydrogen bond donor(s) and 5 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 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one?
The CAS number of 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one is 7225-73-2.
What is the molecular formula of 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one?
The molecular formula of 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one is C11H14F6N2O5S2.
What is the molecular weight of 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one?
The molecular weight of 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one is 432.02 g/mol.
Where can I buy 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one?
You can request a quote for 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-bis(trifluoromethylsulfonyl)-2,4,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.