CAS RN: 795290-34-5

(1S,1μS,2R,2μR)-2,2μ-Di-tert-butyl-2,3,2μ,3μ-tetrahydro-1H,1μH(1,1μ)biisophosphindolyl

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  • Product code: starshine_CAS795290-34-5
  • Purity/Analytical Methods: >99.0%
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795290-34-5 / (1S,2R)-2-tert-butyl-1-[(1S,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole

Standard CAS: 795290-34-5 Multi CAS: Yes

Basic Information

CAS
795290-34-5
Multi CAS
Yes
Molecular Formula
C24H32P2
Molecular Weight
382.500000
Exact Mass
382.197925
InChI
InChI=1S/C24H32P2/c1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21-,22-,25?,26?/m0/s1
InChIKey
HCBRTCFUVLYSKU-FPMFRTRJSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
1
Molar refractivity
119.12
TPSA
0.0000

LogP / Solubility

WLOGP
8.06
MLOGP
7.11
XLogP3
3.8
Consensus LogP
6.32
Log S (ESOL)
-7.56
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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