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CAS 61954-82-3 5-BroMo-4-phenylthiazol-2-aMine molecular structure lightbox
CAS RN: 61954-82-3

5-BroMo-4-phenylthiazol-2-aMine

  • Product code: SSC-170966
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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 61954-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

61954-82-3 / 5-bromo-4-phenyl-1,3-thiazol-2-amine

Standard CAS: 61954-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61954-82-3
Multi CAS
No
Molecular Formula
BC9H7Rn2S
Molecular Weight
255.140000
Exact Mass
253.951330
InChI
InChI=1S/C9H7BrN2S/c10-8-7(12-9(11)13-8)6-4-2-1-3-5-6/h1-5H,(H2,11,12)
InChIKey
ONHYSHQEAKQAFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.66
TPSA
38.91

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

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

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