![CAS 524941-65-9 (11bS,11’bS)-4,4′-(R,2R)-1,2-cyclohexanediylbis[4,5-dihydro-H-Dinaphth[2,1-c:1′,2′-e]azepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/524941-65-9.gif)
CAS RN: 524941-65-9
(11bS,11’bS)-4,4′-(R,2R)-1,2-cyclohexanediylbis[4,5-dihydro-H-Dinaphth[2,1-c:1′,2′-e]azepine
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.20260119 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS524941-65-9
- Purity/Analytical Methods: >99.0%
524941-65-9 / 13-[(1R,2R)-2-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
Basic Information
CAS
524941-65-9
Multi CAS
Yes
Molecular Formula
C50H42N2
Molecular Weight
670.900000
Exact Mass
670.334799
InChI
InChI=1S/C50H42N2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-8,11-18,21-28,45-46H,9-10,19-20,29-32H2/t45-,46-/m1/s1
InChIKey
ZVPRFVPNPUSIQF-AWSIMMLFSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
40
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
218.32
TPSA
6.48
LogP / Solubility
WLOGP
12.28
MLOGP
10.86
XLogP3
12
Consensus LogP
11.71
Log S (ESOL)
-12.17
Class (ESOL)
Insoluble
Log S (Ali)
-13.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.45
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)
1.9
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9
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