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CAS 1263068-83-2 GSK205 HBr molecular structure lightbox
CAS RN: 1263068-83-2

GSK205 HBr

  • Product code: SSC-033324
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1263068-83-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1263068-83-2 / N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-5-pyridin-3-yl-1,3-thiazol-2-amine;hydrobromide

Standard CAS: 1263068-83-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1263068-83-2
Multi CAS
No
Molecular Formula
C24H25BrN4S
Molecular Weight
481.500000
Exact Mass
480.098330
SMILES
CN(CCC1=CC=C(C=C1)NC2=NC=C(S2)C3=CN=CC=C3)CC4=CC=CC=C4.Br
InChI
InChI=1S/C24H24N4S.BrH/c1-28(18-20-6-3-2-4-7-20)15-13-19-9-11-22(12-10-19)27-24-26-17-23(29-24)21-8-5-14-25-16-21;/h2-12,14,16-17H,13,15,18H2,1H3,(H,26,27);1H
InChIKey
LQGOJHGNGSOUKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
23
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
131.87
TPSA
41.05

LogP / Solubility

WLOGP
6.2
MLOGP
5.49
XLogP3
6.2
Consensus LogP
5.96
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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