![CAS 1771804-78-4 Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]amino]sulfonyl]-, 9H-fluoren-9-ylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1771804-78-4.gif)
CAS RN: 1771804-78-4
Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]amino]sulfonyl]-, 9H-fluoren-9-ylmethyl ester
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.20251119 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1771804-78-4
- Purity/Analytical Methods: >99.0%
1771804-78-4 / 9H-fluoren-9-ylmethyl N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethylsulfamoyl]carbamate
Basic Information
CAS
1771804-78-4
Multi CAS
No
Molecular Formula
C27H21BrFN7O7S
Molecular Weight
686.500000
Exact Mass
685.039060
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NS(=O)(=O)NCCNC4=NON=C4C5=NOC(=O)N5C6=CC(=C(C=C6)F)Br
InChI
InChI=1S/C27H21BrFN7O7S/c28-21-13-15(9-10-22(21)29)36-25(34-42-27(36)38)23-24(33-43-32-23)30-11-12-31-44(39,40)35-26(37)41-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20,31H,11-12,14H2,(H,30,33)(H,35,37)
InChIKey
WRGDDDWWOQOVKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
28
Fraction Csp3
0.15
Rotatable bonds
10
H-bond acceptors
12
H-bond donors
3
Molar refractivity
156.67
TPSA
183.48
LogP / Solubility
WLOGP
3.56
MLOGP
3.19
XLogP3
4.6
Consensus LogP
3.78
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-7.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.38
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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