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CAS 159768-48-6 4-CHLORO-7-FLUORO-6-METHOXY-QUINAZOLINE molecular structure lightbox
CAS RN: 159768-48-6

4-CHLORO-7-FLUORO-6-METHOXY-QUINAZOLINE

  • Product code: SSC-067736
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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 159768-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

159768-48-6 / 4-chloro-7-fluoro-6-methoxyquinazoline

Standard CAS: 159768-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159768-48-6
Multi CAS
No
Molecular Formula
C9H6ClFN2O
Molecular Weight
212.610000
Exact Mass
212.015269
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)F
InChI
InChI=1S/C9H6ClFN2O/c1-14-8-2-5-7(3-6(8)11)12-4-13-9(5)10/h2-4H,1H3
InChIKey
XVFCYYAFOCEJSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.06
TPSA
35.01

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.6
Consensus LogP
2.39
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-2.29

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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