![CAS 1221901-53-6 (11bR)-N-benzyl-N-phenyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221901-53-6.gif)
CAS RN: 1221901-53-6
(11bR)-N-benzyl-N-phenyldinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine
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.20250426 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1221901-53-6
- Purity/Analytical Methods: >99.0%
1221901-53-6 / N-benzyl-N-phenyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
Basic Information
CAS
1221901-53-6
Multi CAS
No
Molecular Formula
C33H24NO2P
Molecular Weight
497.500000
Exact Mass
497.154466
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
InChI
InChI=1S/C33H24NO2P/c1-3-11-24(12-4-1)23-34(27-15-5-2-6-16-27)37-35-30-21-19-25-13-7-9-17-28(25)32(30)33-29-18-10-8-14-26(29)20-22-31(33)36-37/h1-22H,23H2
InChIKey
JKSFBBHOLBGATF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
35
Fraction Csp3
0.03
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
155.8
TPSA
29.52
LogP / Solubility
WLOGP
10.07
MLOGP
8.89
XLogP3
9.4
Consensus LogP
9.45
Log S (ESOL)
-9.7
Class (ESOL)
Insoluble
Log S (Ali)
-10.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.73
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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