[email protected]
CAS 1020665-73-9 N-[(1R,2R)-2-[[[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]thioxoMethyl]aMino]-1,2-diphenylethyl]-3,5-bis(trifluoroMethyl)-BenzenesulfonaMide molecular structure lightbox
CAS RN: 1020665-73-9

N-[(1R,2R)-2-[[[[(1R,2R)-2-(diMethylaMino)cyclohexyl]aMino]thioxoMethyl]aMino]-1,2-diphenylethyl]-3,5-bis(trifluoroMethyl)-BenzenesulfonaMide

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250426 100mg In stock Shanghai Inquiry
Batchno.20251105 250mg In stock Shanghai Inquiry
Batchno.20250506 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250118 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1020665-73-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1020665-73-9 / 1-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-1,2-diphenylethyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea

N-((1R,2R)-2-(3-((1R,2R)-2-(Dimethylamino)cyclohexyl)thioureido)-1,2-diphenylethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide | N-[(1R,2R)-2-[[[[(1R,2R)-2-(Dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide | MFCD27922596

Standard CAS: 1020665-73-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1020665-73-9
Multi CAS
Yes
Molecular Formula
C31H34F6N4O2S2
Molecular Weight
672.800000
Exact Mass
672.202738
SMILES
CN(C)[C@@H]1CCCC[C@H]1NC(=S)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NS(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C31H34F6N4O2S2/c1-41(2)26-16-10-9-15-25(26)38-29(44)39-27(20-11-5-3-6-12-20)28(21-13-7-4-8-14-21)40-45(42,43)24-18-22(30(32,33)34)17-23(19-24)31(35,36)37/h3-8,11-14,17-19,25-28,40H,9-10,15-16H2,1-2H3,(H2,38,39,44)/t25-,26-,27-,28-/m1/s1
InChIKey
ZRDOOGDGPMAXLS-BIYDSLDMSA-N
Synonyms
N-((1R,2R)-2-(3-((1R,2R)-2-(Dimethylamino)cyclohexyl)thioureido)-1,2-diphenylethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide N-[(1R,2R)-2-[[[[(1R,2R)-2-(Dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide MFCD27922596 Benzenesulfonamide, N-[(1R,2R)-2-[[[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]thioxomethyl]amino]-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)- 1-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-1,2-diphenylethyl]-3-[(1R,2R)-2-(dimethylamino)cyclohexyl]thiourea

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.39
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
163.73
TPSA
73.47

LogP / Solubility

WLOGP
6.82
MLOGP
6.06
XLogP3
6.8
Consensus LogP
6.56
Log S (ESOL)
-8.01
Class (ESOL)
Insoluble
Log S (Ali)
-10
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us