Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
740815-37-6 / ditert-butyl-(1-phenylindol-2-yl)phosphane
Basic Information
CAS
740815-37-6
Multi CAS
No
Molecular Formula
C22H28NP
Molecular Weight
337.400000
Exact Mass
337.195937
InChI
InChI=1S/C22H28NP/c1-21(2,3)24(22(4,5)6)20-16-17-12-10-11-15-19(17)23(20)18-13-8-7-9-14-18/h7-16H,1-6H3
InChIKey
HDZRDZCQFYUOHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
109.34
TPSA
4.93
LogP / Solubility
WLOGP
6.33
MLOGP
5.59
XLogP3
5.5
Consensus LogP
5.81
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
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)
-0.28
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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