CAS RN: 672937-63-2
1-(2-METHOXYPHENYL)-2-(DICYCLOHEXYLPHOSPHINO)PYRROLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260103 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS672937-63-2
- Purity/Analytical Methods: >99.0%
672937-63-2 / dicyclohexyl-[1-(2-methoxyphenyl)pyrrol-2-yl]phosphane
Basic Information
CAS
672937-63-2
Multi CAS
No
Molecular Formula
C23H32NOP
Molecular Weight
369.500000
Exact Mass
369.222152
InChI
InChI=1S/C23H32NOP/c1-25-22-16-9-8-15-21(22)24-18-10-17-23(24)26(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h8-10,15-20H,2-7,11-14H2,1H3
InChIKey
JUZAKZRALSJLOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
112.62
TPSA
14.16
LogP / Solubility
WLOGP
6.26
MLOGP
5.53
XLogP3
5.8
Consensus LogP
5.86
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
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
Yes
Log Kp (skin permeation)
-0.53
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
3
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