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CAS 736901-08-9 4-(2,6-DICHLORO-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 736901-08-9

4-(2,6-DICHLORO-PHENYL)-THIAZOL-2-YLAMINE

  • Product code: SSC-183091
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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 736901-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

736901-08-9 / 4-(2,6-dichlorophenyl)-1,3-thiazol-2-amine

Standard CAS: 736901-08-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
736901-08-9
Multi CAS
No
Molecular Formula
C9H6CL2N2S
Molecular Weight
245.130000
Exact Mass
243.962875
InChI
InChI=1S/C9H6Cl2N2S/c10-5-2-1-3-6(11)8(5)7-4-14-9(12)13-7/h1-4H,(H2,12,13)
InChIKey
ABGDCVGLTHYCQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.98
TPSA
38.91

LogP / Solubility

WLOGP
3.7
MLOGP
3.26
XLogP3
3.5
Consensus LogP
3.49
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

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

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