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CAS 675602-97-8 4-(4-BROMO-3-NITRO-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 675602-97-8

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

  • Product code: SSC-177250
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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 675602-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

675602-97-8 / 4-(4-bromo-3-nitrophenyl)-1,3-thiazol-2-amine

Standard CAS: 675602-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
675602-97-8
Multi CAS
No
Molecular Formula
BC9H6O2Rn3S
Molecular Weight
300.130000
Exact Mass
298.936410
InChI
InChI=1S/C9H6BrN3O2S/c10-6-2-1-5(3-8(6)13(14)15)7-4-16-9(11)12-7/h1-4H,(H2,11,12)
InChIKey
AELIUOOJSQZFQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.32
TPSA
82.05

LogP / Solubility

WLOGP
3.06
MLOGP
2.71
XLogP3
2.8
Consensus LogP
2.86
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

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

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