![CAS 828927-97-5 (R)-(+)-4-[2-(DIPHENYLPHOSPHINO)-1-NAPHTHALENYL]-N-[-1-PHENYLETHYL]-1-PHTHALAZINAMINE, MIN.(R)-N-PINAP molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/828927-97-5.gif)
CAS RN: 828927-97-5
(R)-(+)-4-[2-(DIPHENYLPHOSPHINO)-1-NAPHTHALENYL]-N-[-1-PHENYLETHYL]-1-PHTHALAZINAMINE, MIN.(R)-N-PINAP
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260217 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-190913
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
828927-97-5 / 4-(2-diphenylphosphanylnaphthalen-1-yl)-N-[(1R)-1-phenylethyl]phthalazin-1-amine
Basic Information
CAS
828927-97-5
Multi CAS
Yes
Molecular Formula
C38H30N3P
Molecular Weight
559.600000
Exact Mass
559.217735
InChI
InChI=1S/C38H30N3P/c1-27(28-15-5-2-6-16-28)39-38-34-24-14-13-23-33(34)37(40-41-38)36-32-22-12-11-17-29(32)25-26-35(36)42(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h2-27H,1H3,(H,39,41)/t27-/m1/s1
InChIKey
HCEVCINOBTVHOF-HHHXNRCGSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
38
Fraction Csp3
0.05
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
179.67
TPSA
37.81
LogP / Solubility
WLOGP
8.38
MLOGP
7.42
XLogP3
8.9
Consensus LogP
8.23
Log S (ESOL)
-8.8
Class (ESOL)
Insoluble
Log S (Ali)
-10.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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