CAS RN: 184845-18-9
NNC 05-2090 hydrochloride
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260420 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS184845-18-9
- Purity/Analytical Methods: >99.0%
184845-18-9 / 1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride
Basic Information
CAS
184845-18-9
Multi CAS
No
Molecular Formula
C27H31ClN2O2
Molecular Weight
451.000000
Exact Mass
450.207406
SMILES
COC1=CC=CC=C1C2(CCN(CC2)CCCN3C4=CC=CC=C4C5=CC=CC=C53)O.Cl
InChI
InChI=1S/C27H30N2O2.ClH/c1-31-26-14-7-4-11-23(26)27(30)15-19-28(20-16-27)17-8-18-29-24-12-5-2-9-21(24)22-10-3-6-13-25(22)29;/h2-7,9-14,30H,8,15-20H2,1H3;1H
InChIKey
WDFXPKKFSNMGOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
19
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
133.87
TPSA
37.63
LogP / Solubility
WLOGP
5.6
MLOGP
4.96
XLogP3
5.6
Consensus LogP
5.39
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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