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CAS 568630-14-8 QUINAZOLINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 568630-14-8

QUINAZOLINE-2-CARBOXYLIC ACID

  • Product code: SSC-164898
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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: 0.1g, 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 568630-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry

568630-14-8 / quinazoline-2-carboxylic acid

Standard CAS: 568630-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
568630-14-8
Multi CAS
No
Molecular Formula
C9H6N2O2
Molecular Weight
174.160000
Exact Mass
174.042927
InChI
InChI=1S/C9H6N2O2/c12-9(13)8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
InChIKey
OKXPYKHKJCATPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.5
TPSA
63.08

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

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

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