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CAS 20197-55-1 6,8-DICHLORO[1,3]DIOXOLO[4,5-G]QUINAZOLINE molecular structure lightbox
CAS RN: 20197-55-1

6,8-DICHLORO[1,3]DIOXOLO[4,5-G]QUINAZOLINE

  • Product code: SSC-095179
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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 20197-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

20197-55-1 / 6,8-dichloro-[1,3]dioxolo[4,5-g]quinazoline

Standard CAS: 20197-55-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20197-55-1
Multi CAS
No
Molecular Formula
C9H4Cl2N2O2
Molecular Weight
243.040000
Exact Mass
241.964983
SMILES
C1OC2=C(O1)C=C3C(=C2)C(=NC(=N3)Cl)Cl
InChI
InChI=1S/C9H4Cl2N2O2/c10-8-4-1-6-7(15-3-14-6)2-5(4)12-9(11)13-8/h1-2H,3H2
InChIKey
FDXFQHNKDXERIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
4
Molar refractivity
55.68
TPSA
44.24

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
3.3
Consensus LogP
2.77
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.31

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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