CAS RN: 55011-89-7
CITALOPRAM RELATED COMPOUND F (200 MG) (DIMETHYL-(1-METHYL-3,3-DIPHENYL-ALLYL)-AMINE HYDROCHLORIDE)
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.20250716 | 200mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS55011-89-7
- Purity/Analytical Methods: >99.0%
55011-89-7 / 4,4-diphenylbut-3-en-2-yl(dimethyl)azanium chloride
Basic Information
CAS
55011-89-7
Multi CAS
Yes
Molecular Formula
C18H22CLN
Molecular Weight
287.800000
Exact Mass
287.144077
InChI
InChI=1S/C18H21N.ClH/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-15H,1-3H3;1H
InChIKey
ZVTAYVQUGPGRAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
82.24
TPSA
4.44
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.29
XLogP3
-0.34
Consensus LogP
-0.32
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
-
-
1H-Benzimidazole-2-acetonitrile,4-methyl-(9CI)
- CAS RN: 55025-38-2
- Product Code: SSC-162858
-
![CAS 55022-88-3 1-AZA-BICYCLO[2.2.2]OCTANE-4-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55022-88-3.gif)
