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CAS 4320-13-2 Thiazinamium chloride molecular structure lightbox
CAS RN: 4320-13-2

Thiazinamium chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4320-13-2
  • Purity/Analytical Methods: >99.0%
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4320-13-2 / trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium chloride

Standard CAS: 4320-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4320-13-2
Multi CAS
No
Molecular Formula
C18H23CLN2S
Molecular Weight
334.900000
Exact Mass
334.127048
InChI
InChI=1S/C18H23N2S.ClH/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;/h5-12,14H,13H2,1-4H3;1H/q+1;/p-1
InChIKey
NGYRQLDJZVHTFE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
91.51
TPSA
3.24

LogP / Solubility

WLOGP
1.39
MLOGP
1.24
XLogP3
1.39
Consensus LogP
1.34
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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