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CAS 33683-30-6 4-(QUINAZOLIN-4-YLAMINO)-BENZOIC ACID molecular structure lightbox
CAS RN: 33683-30-6

4-(QUINAZOLIN-4-YLAMINO)-BENZOIC ACID

  • Product code: SSC-139833
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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 33683-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

33683-30-6 / 4-(quinazolin-4-ylamino)benzoic acid

Standard CAS: 33683-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33683-30-6
Multi CAS
No
Molecular Formula
C15H11N3O2
Molecular Weight
265.270000
Exact Mass
265.085127
InChI
InChI=1S/C15H11N3O2/c19-15(20)10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)16-9-17-14/h1-9H,(H,19,20)(H,16,17,18)
InChIKey
SGTLIIKTRIMNPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.22
TPSA
75.11

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.5
Consensus LogP
3.09
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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