CAS RN: 62498-71-9
CitalopraM N-Oxide 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.20260613 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS62498-71-9
- Purity/Analytical Methods: >99.0%
62498-71-9 / 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide;hydrochloride
Basic Information
CAS
62498-71-9
Multi CAS
No
Molecular Formula
C20H22CLFN2O2
Molecular Weight
376.800000
Exact Mass
376.135384
InChI
InChI=1S/C20H21FN2O2.ClH/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H
InChIKey
IVNQZCHENWHXQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
99.95
TPSA
56.08
LogP / Solubility
WLOGP
4.25
MLOGP
3.76
XLogP3
4.25
Consensus LogP
4.09
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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