![CAS 2975-36-2 10-[(1-methyl-3-piperidyl)methyl]-10H-phenothiazine monohydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2975-36-2.gif)
CAS RN: 2975-36-2
10-[(1-methyl-3-piperidyl)methyl]-10H-phenothiazine monohydrochloride
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS2975-36-2
- Purity/Analytical Methods: >99.0%
2975-36-2 / 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine;hydrochloride
Basic Information
CAS
2975-36-2
Multi CAS
Yes
Molecular Formula
C19H23CLN2S
Molecular Weight
346.900000
Exact Mass
346.127048
InChI
InChI=1S/C19H22N2S.ClH/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;1H
InChIKey
RLCFKYRNUBRPIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
101.48
TPSA
6.48
LogP / Solubility
WLOGP
5.05
MLOGP
4.46
XLogP3
5.05
Consensus LogP
4.85
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
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
No
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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