![CAS 1034835-88-5 N-[(1R,2R)-2-[(11bS)-3,5-dihydro-4H-dinaphth[2,1-c:1′,2′-e]azepin-4-yl]cyclohexyl]-4-Methyl-BenzenesulfonaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1034835-88-5.gif)
CAS RN: 1034835-88-5
N-[(1R,2R)-2-[(11bS)-3,5-dihydro-4H-dinaphth[2,1-c:1′,2′-e]azepin-4-yl]cyclohexyl]-4-Methyl-BenzenesulfonaMide
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.20251231 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1034835-88-5
- Purity/Analytical Methods: >99.0%
1034835-88-5 / N-[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]-4-methylbenzenesulfonamide
MFCD32671215 | (11bR)-N-(2-(3H-Dinaphtho[2,1-c:1',2'-e]azepin-4(5H)-yl)cyclohexyl)-4-methylbenzenesulfonamide | (11bS)-N-(2-(3H-Dinaphtho[2,1-c:1',2'-e]azepin-4(5H)-yl)cyclohexyl)-4-methylbenzenesulfonamide
Basic Information
CAS
1034835-88-5
Multi CAS
No
Molecular Formula
C35H34N2O2S
Molecular Weight
546.700000
Exact Mass
546.234100
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2N3CC4=C(C5=CC=CC=C5C=C4)C6=C(C3)C=CC7=CC=CC=C76
InChI
InChI=1S/C35H34N2O2S/c1-24-14-20-29(21-15-24)40(38,39)36-32-12-6-7-13-33(32)37-22-27-18-16-25-8-2-4-10-30(25)34(27)35-28(23-37)19-17-26-9-3-5-11-31(26)35/h2-5,8-11,14-21,32-33,36H,6-7,12-13,22-23H2,1H3
InChIKey
PFBSYCRSZJMMPH-UHFFFAOYSA-N
Synonyms
MFCD32671215
(11bR)-N-(2-(3H-Dinaphtho[2,1-c:1',2'-e]azepin-4(5H)-yl)cyclohexyl)-4-methylbenzenesulfonamide
(11bS)-N-(2-(3H-Dinaphtho[2,1-c:1',2'-e]azepin-4(5H)-yl)cyclohexyl)-4-methylbenzenesulfonamide
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
26
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
163.68
TPSA
49.41
LogP / Solubility
WLOGP
7.57
MLOGP
6.71
XLogP3
7.8
Consensus LogP
7.36
Log S (ESOL)
-8.22
Class (ESOL)
Insoluble
Log S (Ali)
-9.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.98
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)
-0.68
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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