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CAS 1375064-64-4 Methyl 5-(2-Pyridyl)isoxazole-3-carboxylate molecular structure lightbox
CAS RN: 1375064-64-4

Methyl 5-(2-Pyridyl)isoxazole-3-carboxylate

  • Product code: SSC-047162
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1375064-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

1375064-64-4 / phenyl(quinolin-3-yl)methanol

Standard CAS: 1375064-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375064-64-4
Multi CAS
No
Molecular Formula
C16H13NO
Molecular Weight
235.280000
Exact Mass
235.099714
SMILES
C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)O
InChI
InChI=1S/C10H8N2O3/c1-14-10(13)8-6-9(15-12-8)7-4-2-3-5-11-7/h2-6H,1H3
InChIKey
NWHVLEYEGZPCMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.25
TPSA
33.12

LogP / Solubility

WLOGP
3.32
MLOGP
2.92
XLogP3
3
Consensus LogP
3.08
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-1.8

Drug-likeness / Medicinal Chemistry

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

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