CAS RN: 1192815-31-8
(S)-F-Ligand
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.20251004 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1192815-31-8
- Purity/Analytical Methods: >99.0%
1192815-31-8 / N-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]benzenesulfonamide
N-(2-((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)-6-(((1S,2R,5S)-2-isopropyl-5-methylcyclohexyl)oxy)phenyl)benzenesulfonamide | SCHEMBL18199857 | SCHEMBL29505524
Basic Information
CAS
1192815-31-8
Multi CAS
Yes
Molecular Formula
C28H38N2O4S
Molecular Weight
498.700000
Exact Mass
498.255229
SMILES
C[C@H]1CC[C@@H]([C@H](C1)OC2=CC=CC(=C2NS(=O)(=O)C3=CC=CC=C3)C4=N[C@H](CO4)C(C)C)C(C)C
InChI
InChI=1S/C28H38N2O4S/c1-18(2)22-15-14-20(5)16-26(22)34-25-13-9-12-23(28-29-24(17-33-28)19(3)4)27(25)30-35(31,32)21-10-7-6-8-11-21/h6-13,18-20,22,24,26,30H,14-17H2,1-5H3/t20-,22+,24+,26-/m0/s1
InChIKey
RIBMEIXKQHDUCD-RXDHMRHRSA-N
Synonyms
N-(2-((S)-4-Isopropyl-4,5-dihydrooxazol-2-yl)-6-(((1S,2R,5S)-2-isopropyl-5-methylcyclohexyl)oxy)phenyl)benzenesulfonamide
SCHEMBL18199857
SCHEMBL29505524
MFCD35126922
AC-31758
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
140.57
TPSA
76.99
LogP / Solubility
WLOGP
6.13
MLOGP
5.43
XLogP3
6.8
Consensus LogP
6.12
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-8.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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