![CAS 894085-97-3 5-[BIS(TERT-BUTYL)PHOSPHINO]-1-(1-NAPHTHALENYL)-1H-PYRAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/894085-97-3.gif)
CAS RN: 894085-97-3
5-[BIS(TERT-BUTYL)PHOSPHINO]-1-(1-NAPHTHALENYL)-1H-PYRAZOLE
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS894085-97-3
- Purity/Analytical Methods: >99.0%
894085-97-3 / ditert-butyl-(2-naphthalen-1-ylpyrazol-3-yl)phosphane
Basic Information
CAS
894085-97-3
Multi CAS
No
Molecular Formula
C21H27N2P
Molecular Weight
338.400000
Exact Mass
338.191186
InChI
InChI=1S/C21H27N2P/c1-20(2,3)24(21(4,5)6)19-14-15-22-23(19)18-13-9-11-16-10-7-8-12-17(16)18/h7-15H,1-6H3
InChIKey
XJZYJFVKLNCBQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
107.13
TPSA
17.82
LogP / Solubility
WLOGP
5.73
MLOGP
5.06
XLogP3
5
Consensus LogP
5.26
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
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
No
Log Kp (skin permeation)
-0.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 894096-02-7 β-D-Glucopyranosiduronic acid, 2-[[3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-oxopropyl]amino]-4-(hydroxymethyl)phenyl, methyl ester, 2,3,4-triacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/894096-02-7.gif)
