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CAS 1448190-10-0 2-hydroxy-4-(4-methylthiazol-5-yl)benzonitrile molecular structure lightbox
CAS RN: 1448190-10-0

2-hydroxy-4-(4-methylthiazol-5-yl)benzonitrile

  • Product code: SSC-056134
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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 1448190-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1448190-10-0 / 2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)benzonitrile

Standard CAS: 1448190-10-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1448190-10-0
Multi CAS
No
Molecular Formula
C11H8N2OS
Molecular Weight
216.260000
Exact Mass
216.035734
SMILES
CC1=C(SC=N1)C2=CC(=C(C=C2)C#N)O
InChI
InChI=1S/C11H8N2OS/c1-7-11(15-6-13-7)8-2-3-9(5-12)10(14)4-8/h2-4,6,14H,1H3
InChIKey
VCLMFUPNCBAJRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.67
TPSA
56.91

LogP / Solubility

WLOGP
2.7
MLOGP
2.37
XLogP3
2.9
Consensus LogP
2.66
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly 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)
-2.13

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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