CAS RN: 1809427-18-6
SMAP
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250915 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1809427-18-6
- Purity/Analytical Methods: >99.0%
1809427-18-6 / N-[(1R,2R,3S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
Basic Information
CAS
1809427-18-6
Multi CAS
No
Molecular Formula
C25H23F3N2O5S
Molecular Weight
520.500000
Exact Mass
520.127978
SMILES
C1C[C@H]([C@@H]([C@H](C1)N2C3=CC=CC=C3OC4=CC=CC=C42)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C25H23F3N2O5S/c26-25(27,28)35-16-12-14-17(15-13-16)36(32,33)29-18-6-5-9-21(24(18)31)30-19-7-1-3-10-22(19)34-23-11-4-2-8-20(23)30/h1-4,7-8,10-15,18,21,24,29,31H,5-6,9H2/t18-,21+,24+/m1/s1
InChIKey
WGKGADVPRVLHHZ-ZHRMCQFGSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
125.98
TPSA
88.1
LogP / Solubility
WLOGP
5.09
MLOGP
4.52
XLogP3
5.4
Consensus LogP
5
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6.5
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