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CAS 122364-82-3 3-(7-hydroxynaphthyl)-2-thiazole-4-carboxylic acid molecular structure lightbox
CAS RN: 122364-82-3

3-(7-hydroxynaphthyl)-2-thiazole-4-carboxylic acid

  • Product code: SSC-025314
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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 122364-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

122364-82-3 / (4S)-2-(6-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Standard CAS: 122364-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122364-82-3
Multi CAS
No
Molecular Formula
C14H11NO3S
Molecular Weight
273.310000
Exact Mass
273.045964
SMILES
C1[C@@H](N=C(S1)C2=CC3=C(C=C2)C=C(C=C3)O)C(=O)O
InChI
InChI=1S/C14H11NO3S/c16-11-4-3-8-5-10(2-1-9(8)6-11)13-15-12(7-19-13)14(17)18/h1-6,12,16H,7H2,(H,17,18)/t12-/m1/s1
InChIKey
DYBTWQQNDQLASO-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.03
TPSA
69.89

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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