CAS RN: 1263322-11-7
N-(9R)-cinchonan-9-yl-2-(diphenylphosphino)-Benzamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250629 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1263322-11-7
- Purity/Analytical Methods: >99.0%
1263322-11-7 / 2-diphenylphosphanyl-N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]benzamide
Basic Information
CAS
1263322-11-7
Multi CAS
No
Molecular Formula
C38H36N3OP
Molecular Weight
581.700000
Exact Mass
581.259600
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=CC=NC4=CC=CC=C34)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C38H36N3OP/c1-2-27-26-41-24-22-28(27)25-35(41)37(32-21-23-39-34-19-11-9-17-31(32)34)40-38(42)33-18-10-12-20-36(33)43(29-13-5-3-6-14-29)30-15-7-4-8-16-30/h2-21,23,27-28,35,37H,1,22,24-26H2,(H,40,42)/t27-,28-,35+,37+/m0/s1
InChIKey
CGKHYILLCFTGHO-QOEKYBDISA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
28
Fraction Csp3
0.21
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
178.87
TPSA
45.23
LogP / Solubility
WLOGP
6.36
MLOGP
5.64
XLogP3
7
Consensus LogP
6.33
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.68
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)
-1.75
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
10
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