5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866138-35-4) is a chemical compound with molecular formula C14H11F3N2O3S2 and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylsulfonyl-7-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one
Also Known As: 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1-thiophen-2-ylsulfonyl-7-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one, 5-(thiophene-2-sulfonyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, 2-thiophen-2-ylsulfonyl-9-(trifluoromethyl)-2,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-5-one
| Molecular Formula | C14H11F3N2O3S2 |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 3.3044 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.01633 |
| Heavy Atoms | 24 |
| Complexity | 877.1648 |
Chemical Identifiers
| CAS Number | 866138-35-4 |
|---|---|
| SMILES | C1CN(C2=C(C=C(C=C2)C(F)(F)F)NC1=O)S(=O)(=O)C3=CC=CS3 |
Product Overview
5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866138-35-4), with molecular formula C14H11F3N2O3S2 and molecular weight 376.02 g/mol. IUPAC: 1-thiophen-2-ylsulfonyl-7-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one.
Chemical Property Profile of 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 3.3044 indicates that 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one. Following Lipinski's Rule of Five, 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 4 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-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 866138-35-4.
What is the molecular formula of 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C14H11F3N2O3S2.
What is the molecular weight of 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 376.02 g/mol.
Where can I buy 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-thienylsulfonyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.