![CAS 1184982-52-2 5-Benzyl-10-hydroxy-10,11-dihydro-5H-dibenz[b,f]azepine-d3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1184982-52-2.gif)
CAS RN: 1184982-52-2
5-Benzyl-10-hydroxy-10,11-dihydro-5H-dibenz[b,f]azepine-d3
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.20250802 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1184982-52-2
- Purity/Analytical Methods: >99.0%
1184982-52-2 / 11-benzyl-5,6,6-trideuteriobenzo[b][1]benzazepin-5-ol
5-Benzyl-10-hydroxy-10,11-dihydro-5H-dibenz[b,f]azepine-d3 | 11-benzyl-5,6,6-trideuteriobenzo[b][1]benzazepin-5-ol | DTXSID80661799
Basic Information
CAS
1184982-52-2
Multi CAS
Yes
Molecular Formula
C21H19NO
Molecular Weight
304.400000
Exact Mass
304.165494
SMILES
[2H]C1(C2=CC=CC=C2N(C3=CC=CC=C3C1([2H])O)CC4=CC=CC=C4)[2H]
InChI
InChI=1S/C21H19NO/c23-21-14-17-10-4-6-12-19(17)22(15-16-8-2-1-3-9-16)20-13-7-5-11-18(20)21/h1-13,21,23H,14-15H2/i14D2,21D
InChIKey
XCELQJUXTOVVAV-IOPCVUFMSA-N
Synonyms
5-Benzyl-10-hydroxy-10,11-dihydro-5H-dibenz[b,f]azepine-d3
11-benzyl-5,6,6-trideuteriobenzo[b][1]benzazepin-5-ol
DTXSID80661799
5-Benzyl(10,11,11-~2~H_3_)-10,11-dihydro-5H-dibenzo[b,f]azepin-10-ol
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
93.83
TPSA
23.47
LogP / Solubility
WLOGP
4.61
MLOGP
4.07
XLogP3
4.3
Consensus LogP
4.33
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1184984-85-7 [(3-methyl-1,2,4-oxadiazol-5-yl)(phenyl)methyl]amine hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[(3-methyl-1,2,4-oxadiazol-5-yl)(phenyl)methyl]amine hydrochloride
- CAS RN: 1184984-85-7
- Product Code: SSC-018290
-
1-Pyrrolidinecarboxylic acid, 3-(hydroxyMethyl)-4-Methyl-, 1,1-diMethylethyl ester
- CAS RN: 1184985-22-5
- Product Code: SSC-018291
-
C-(5-Methyl-[1,2,4]oxadiazol-3-yl)-methylaminehydrochloride
- CAS RN: 1184986-84-2
- Product Code: SSC-018292
-
N-Nitroso-N-(methyl-D3)-4-aminobutyric Acid
- CAS RN: 1184996-41-5
- Product Code: starshine_CAS1184996-41-5
- Purity/Analytical method: >99.0%
-
3-[(3-Fluorobenzyl)oxy]piperidine hydrochloride
- CAS RN: 1184997-21-4
- Product Code: starshine_CAS1184997-21-4
- Purity/Analytical method: >99.0%
-
cyclopentanol, 2-(dimethylamino)-, (1R,2R)-
- CAS RN: 1184999-47-0
- Product Code: SSC-018295
![CAS 1184984-85-7 [(3-methyl-1,2,4-oxadiazol-5-yl)(phenyl)methyl]amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1184984-85-7.gif)
![CAS 1184986-84-2 C-(5-Methyl-[1,2,4]oxadiazol-3-yl)-methylaminehydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1184986-84-2.gif)
![CAS 1184997-21-4 3-[(3-Fluorobenzyl)oxy]piperidine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB11566335.gif)
