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CAS 20197-97-1 2-CHLORO-6-METHOXYQUINAZOLIN-4(3H)-ONE molecular structure lightbox
CAS RN: 20197-97-1

2-CHLORO-6-METHOXYQUINAZOLIN-4(3H)-ONE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250408 100mg Out of stock Inquiry
Batchno.20250307 1g Out of stock Inquiry
Batchno.20250212 250mg Out of stock Inquiry
  • Product code: SSC-095189
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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 20197-97-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

20197-97-1 / 2-chloro-6-methoxy-3H-quinazolin-4-one

Standard CAS: 20197-97-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20197-97-1
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
COC1=CC2=C(C=C1)N=C(NC2=O)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-14-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H,11,12,13)
InChIKey
RZBPTLOVZCUBRS-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
H-bond donors
1
Molar refractivity
53.93
TPSA
54.98

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

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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