![CAS 1174193-01-1 (11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1174193-01-1.gif)
CAS RN: 1174193-01-1
(11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1174193-01-1
- Purity/Analytical Methods: >99.0%
1174193-01-1 / 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-12lambda6,14lambda6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 12,12,14,14-tetraoxide
2,2'-[Iminobis(sulfonyl)]-3,3'-bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene | (R)-3,3-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1-binaphthyl-2,2-disulfonimide | 10,16-bis[3,5-bis(trifluoromethyl)phenyl]-12lambda6,14lambda6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 12,12,14,14-tetraoxide
Basic Information
CAS
1174193-01-1
Multi CAS
No
Molecular Formula
C36H17F12NO4S2
Molecular Weight
819.600000
Exact Mass
819.040738
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)S(=O)(=O)NS3(=O)=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C36H17F12NO4S2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)55(52,53)49-54(50,51)31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16,49H
InChIKey
DFXCMPXSCANWFA-UHFFFAOYSA-N
Synonyms
2,2'-[Iminobis(sulfonyl)]-3,3'-bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthalene
(R)-3,3-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1-binaphthyl-2,2-disulfonimide
10,16-bis[3,5-bis(trifluoromethyl)phenyl]-12lambda6,14lambda6-dithia-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 12,12,14,14-tetraoxide
2,6-Bis(3,5-bis(trifluoromethyl)phenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine- 3,3,5,5-tetraoxide-(11bR)-
(11BS)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]dinaphtho[2,1-d:1 inverted exclamation marka,2 inverted exclamation marka-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
32
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
175.28
TPSA
80.31
LogP / Solubility
WLOGP
11.05
MLOGP
9.8
XLogP3
11
Consensus LogP
10.62
Log S (ESOL)
-12.18
Class (ESOL)
Insoluble
Log S (Ali)
-14.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.13
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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