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CAS 675602-95-6 4-(4-METHYL-3-NITRO-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 675602-95-6

4-(4-METHYL-3-NITRO-PHENYL)-THIAZOL-2-YLAMINE

  • Product code: SSC-177249
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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: 1g
  • 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 675602-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

675602-95-6 / 4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine

Standard CAS: 675602-95-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
675602-95-6
Multi CAS
Yes
Molecular Formula
C10H9N3O2S
Molecular Weight
235.260000
Exact Mass
235.041548
InChI
InChI=1S/C10H9N3O2S/c1-6-2-3-7(4-9(6)13(14)15)8-5-16-10(11)12-8/h2-5H,1H3,(H2,11,12)
InChIKey
GVEJZEYQGIOTNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.35
TPSA
82.05

LogP / Solubility

WLOGP
2.61
MLOGP
2.3
XLogP3
2.5
Consensus LogP
2.47
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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