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CAS 29113-34-6 4-OXO-3,4-DIHYDROQUINAZOLINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 29113-34-6

4-OXO-3,4-DIHYDROQUINAZOLINE-2-CARBOXYLIC ACID

  • Product code: SSC-131341
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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: >97%
  • 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 29113-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

29113-34-6 / 4-oxo-4aH-quinazoline-2-carboxylic acid

Standard CAS: 29113-34-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29113-34-6
Multi CAS
Yes
Molecular Formula
C9H6N2O3
Molecular Weight
190.160000
Exact Mass
190.037842
InChI
InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-7(11-8)9(13)14/h1-5H,(H,13,14)
InChIKey
IGXLLVZLJICZMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.28
TPSA
79.09

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.7
Consensus LogP
0.35
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.74

Drug-likeness / Medicinal Chemistry

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

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