CAS RN: 60-89-9
pecazine
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6 package records6 with current stock1 grade group
- Product code: starshine_CAS60-89-9
- Purity/Analytical Methods: >99.0%
60-89-9 / 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
Basic Information
CAS
60-89-9
Multi CAS
No
Molecular Formula
C19H22N2S
Molecular Weight
310.500000
Exact Mass
310.150370
InChI
InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
InChIKey
CBHCDHNUZWWAPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
94.23
TPSA
6.48
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
5.6
Consensus LogP
4.77
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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)
-1.33
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
3.5
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![CAS 60-99-1 (-)-10-(3-[DIMETHYLAMINO]-2-METHYLPROPYL)-2-METHOXY-PHENOTHIAZINE MALEATE SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60-99-1.gif)
