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CAS 7423-31-6 STAINS-ALL molecular structure lightbox
CAS RN: 7423-31-6

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260416 1g In stock Shandong, Hebei Inquiry
Batchno.20250506 200mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250831 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 100mg Out of stock Inquiry
Batchno.20250119 250mg Out of stock Inquiry
Batchno.20250527 50mg Out of stock Inquiry
  • Product code: starshine_CAS7423-31-6
  • Purity/Analytical Methods: >99.0%
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7423-31-6 / 1-ethyl-2-[3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide

Standard CAS: 7423-31-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7423-31-6
Multi CAS
Yes
Molecular Formula
BC30H27Rn2S2
Molecular Weight
559.600000
Exact Mass
558.079900
InChI
InChI=1S/C30H27N2S2.BrH/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
MPBRYMWMMKKRGC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
149.76
TPSA
7.12

LogP / Solubility

WLOGP
5.4
MLOGP
4.79
XLogP3
5.4
Consensus LogP
5.2
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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