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CAS 875164-01-5 (8-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)ACETIC ACID molecular structure lightbox
CAS RN: 875164-01-5

(8-METHYL-4-OXOQUINAZOLIN-3(4H)-YL)ACETIC ACID

  • Product code: SSC-197592
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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 875164-01-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

875164-01-5 / 2-(8-methyl-4-oxoquinazolin-3-yl)acetic acid

Standard CAS: 875164-01-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
875164-01-5
Multi CAS
No
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
InChI
InChI=1S/C11H10N2O3/c1-7-3-2-4-8-10(7)12-6-13(11(8)16)5-9(14)15/h2-4,6H,5H2,1H3,(H,14,15)
InChIKey
SNRBRGWGFGRPSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.38
TPSA
72.19

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.8
Consensus LogP
0.76
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.49

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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