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CAS 75369-61-8 5-Hydroxy-2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic Acid molecular structure lightbox
CAS RN: 75369-61-8

5-Hydroxy-2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic Acid

  • Product code: SSC-184828
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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: 0.1g
  • 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 75369-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

75369-61-8 / 5-hydroxy-2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

Standard CAS: 75369-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75369-61-8
Multi CAS
Yes
Molecular Formula
C14F3H11N2O3
Molecular Weight
312.240000
Exact Mass
312.072177
InChI
InChI=1S/C14H11F3N2O3/c1-7-10(14(15,16)17)3-2-4-11(7)19-12-9(13(21)22)5-8(20)6-18-12/h2-6,20H,1H3,(H,18,19)(H,21,22)
InChIKey
JSXNJGKWSWRIGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
72.32
TPSA
82.45

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.7
Consensus LogP
3.47
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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