CAS RN: 275374-67-9
(1R,2S)-1-((2-HYDROXY-3,5-DI-TERT-BUTYL&
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250627 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS275374-67-9
- Purity/Analytical Methods: >99.0%
275374-67-9 / (1S,2R)-1-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1H-inden-2-ol
Basic Information
CAS
275374-67-9
Multi CAS
Yes
Molecular Formula
C24H31NO2
Molecular Weight
365.500000
Exact Mass
365.235479
InChI
InChI=1S/C24H31NO2/c1-23(2,3)17-11-16(22(27)19(13-17)24(4,5)6)14-25-21-18-10-8-7-9-15(18)12-20(21)26/h7-11,13-14,20-21,26-27H,12H2,1-6H3/t20-,21+/m1/s1
InChIKey
MMNHXVSQIRTBOZ-RTWAWAEBSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
111.99
TPSA
52.82
LogP / Solubility
WLOGP
5.06
MLOGP
4.48
XLogP3
5.6
Consensus LogP
5.05
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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