CAS RN: 1053657-07-0
Dicyclohexyl-(2,6-diisopropylphenyl)phosphine
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- Product code: starshine_CAS1053657-07-0
- Purity/Analytical Methods: >99.0%
1053657-07-0 / dicyclohexyl-[2,6-di(propan-2-yl)phenyl]phosphane
Dicyclohexyl(2,6-diisopropylphenyl)phosphine | Dicyclohexyl-(2,6-diisopropylphenyl)phosphine | dicyclohexyl-[2,6-di(propan-2-yl)phenyl]phosphane
Basic Information
CAS
1053657-07-0
Multi CAS
Yes
Molecular Formula
C24H39P
Molecular Weight
358.500000
Exact Mass
358.278938
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)P(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C24H39P/c1-18(2)22-16-11-17-23(19(3)4)24(22)25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h11,16-21H,5-10,12-15H2,1-4H3
InChIKey
BTJYWUVKNAFRBF-UHFFFAOYSA-N
Synonyms
Dicyclohexyl(2,6-diisopropylphenyl)phosphine
Dicyclohexyl-(2,6-diisopropylphenyl)phosphine
dicyclohexyl-[2,6-di(propan-2-yl)phenyl]phosphane
MFCD11044867
[2,6-Bis(1-methylethyl)phenyl]dicyclohexylphosphine
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
5
Molar refractivity
114.92
TPSA
0.0000
LogP / Solubility
WLOGP
7.71
MLOGP
6.8
XLogP3
7.4
Consensus LogP
7.3
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-8.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.99
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)
0.56
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
2.5
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