CAS RN: 528854-34-4
1,2-Bis((2S,5S)-2,5-di-i-propylphospholano)ethane, min. 97%
Product Availability
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5 package records4 with current stock2 grade groups
- Product code: starshine_CAS528854-34-4
- Purity/Analytical Methods: >99.0%
528854-34-4 / (2S,5S)-1-[2-[(2S,5S)-2,5-di(propan-2-yl)phospholan-1-yl]ethyl]-2,5-di(propan-2-yl)phospholane
Basic Information
CAS
528854-34-4
Multi CAS
Yes
Molecular Formula
C22H44P2
Molecular Weight
370.500000
Exact Mass
370.291825
InChI
InChI=1S/C22H44P2/c1-15(2)19-9-10-20(16(3)4)23(19)13-14-24-21(17(5)6)11-12-22(24)18(7)8/h15-22H,9-14H2,1-8H3/t19-,20-,21-,22-/m0/s1
InChIKey
IRVIFEWWPYKALC-CMOCDZPBSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
7
Molar refractivity
116.55
TPSA
0.0000
LogP / Solubility
WLOGP
7.64
MLOGP
6.74
XLogP3
6.2
Consensus LogP
6.86
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-8.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.44
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
4.5
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