CAS RN: 147780-50-5
(+)-Mequitazine
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.20250128 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS147780-50-5
- Purity/Analytical Methods: >99.0%
147780-50-5 / 10-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine
Basic Information
CAS
147780-50-5
Multi CAS
No
Molecular Formula
C20H22N2S
Molecular Weight
322.500000
Exact Mass
322.150370
SMILES
C1CN2CCC1[C@H](C2)CN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m1/s1
InChIKey
HOKDBMAJZXIPGC-MRXNPFEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
96.67
TPSA
6.48
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
4.6
Consensus LogP
4.44
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
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)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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