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CAS 35619-65-9 Tritiozine molecular structure lightbox
CAS RN: 35619-65-9

Tritiozine

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3 package records0 with current stock1 grade group
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Batchno.20250131 10mg Out of stock Inquiry
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  • Product code: starshine_CAS35619-65-9
  • Purity/Analytical Methods: >99.0%
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35619-65-9 / morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione

Standard CAS: 35619-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35619-65-9
Multi CAS
No
Molecular Formula
C14H19NO4S
Molecular Weight
297.370000
Exact Mass
297.103479
InChI
InChI=1S/C14H19NO4S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3
InChIKey
MVOUIYUWRXPNKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
80.19
TPSA
40.16

LogP / Solubility

WLOGP
1.72
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.58
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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