![CAS 951399-94-3 11bS,11’bS)- 4,4′-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl]bis[4,5-dihydro-H-Dinaphth[2,1-c:1′,2′-e]azepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951399-94-3.gif)
CAS RN: 951399-94-3
11bS,11’bS)- 4,4′-[(1R,2R)-1,2-diphenyl-1,2-ethanediyl]bis[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.20260224 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS951399-94-3
- Purity/Analytical Methods: >99.0%
951399-94-3 / 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)-1,2-diphenylethyl]-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
951399-94-3
Multi CAS
Yes
Molecular Formula
C58H44N2
Molecular Weight
769.000000
Exact Mass
768.350449
InChI
InChI=1S/C58H44N2/c1-3-19-43(20-4-1)57(59-35-45-31-27-39-15-7-11-23-49(39)53(45)54-46(36-59)32-28-40-16-8-12-24-50(40)54)58(44-21-5-2-6-22-44)60-37-47-33-29-41-17-9-13-25-51(41)55(47)56-48(38-60)34-30-42-18-10-14-26-52(42)56/h1-34,57-58H,35-38H2/t57-,58-/m1/s1
InChIKey
ZAWDGAJPEFTJPD-YZCGSYMESA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
52
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
250.64
TPSA
6.48
LogP / Solubility
WLOGP
14.45
MLOGP
12.78
XLogP3
13.7
Consensus LogP
13.64
Log S (ESOL)
-14.02
Class (ESOL)
Insoluble
Log S (Ali)
-16.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.25
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)
2.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
Customers Also Viewed
-
![CAS 951399-95-4 (11bS)- 4-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)-1,2-diphenylethyl]-4,5-dihydro-3H-Dinaphth[2,1-c:1′,2′-e]azepine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(11bS)- 4-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)-1,2-diphenylethyl]-4,5-dihydro-3H-Dinaphth[2,1-c:1′,2′-e]azepine
- CAS RN: 951399-95-4
- Product Code: starshine_CAS951399-95-4
- Purity/Analytical method: >99.0%
-
Sephin 1
- CAS RN: 951441-04-6
- Product Code: starshine_CAS951441-04-6
- Purity/Analytical method: >99.0%
-
Neurotoxin Inhibitor
- CAS RN: 951571-70-3
- Product Code: starshine_CAS951571-70-3
- Purity/Analytical method: >99.0%
-
[1-(3-chlorophenyl)triazol-4-yl]-thiomorpholino-methanone
- CAS RN: 951612-19-4
- Product Code: SSC-210386
-
-
Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
- CAS RN: 951625-93-7
- Product Code: SSC-210390
![CAS 951399-95-4 (11bS)- 4-[(1R,2R)-2-(1,3-dihydro-2H-isoindol-2-yl)-1,2-diphenylethyl]-4,5-dihydro-3H-Dinaphth[2,1-c:1′,2′-e]azepine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951399-95-4.gif)
![CAS 951612-19-4 [1-(3-chlorophenyl)triazol-4-yl]-thiomorpholino-methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951612-19-4.gif)
![CAS 951625-93-7 Methyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951625-93-7.gif)