![CAS 1256952-84-7 11bR,11’bR)- 4,4′-[(1S,2S)-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/2023/05/1256952-84-7.gif)
CAS RN: 1256952-84-7
11bR,11’bR)- 4,4′-[(1S,2S)-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.20250529 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256952-84-7
- Purity/Analytical Methods: >99.0%
1256952-84-7 / 13-[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
1256952-84-7
Multi CAS
No
Molecular Formula
C58H44N2
Molecular Weight
769.000000
Exact Mass
768.350449
SMILES
C1C2=C(C3=CC=CC=C3C=C2)C4=C(CN1C(C5=CC=CC=C5)C(C6=CC=CC=C6)N7CC8=C(C9=CC=CC=C9C=C8)C1=C(C7)C=CC2=CC=CC=C21)C=CC1=CC=CC=C14
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
InChIKey
ZAWDGAJPEFTJPD-UHFFFAOYSA-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
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![CAS 1256958-47-0 5-(AMinoMethyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256958-47-0.gif)