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CAS 1256955-28-8 4-Chloro-7-(methylsulfonyl)quinazoline molecular structure lightbox
CAS RN: 1256955-28-8

4-Chloro-7-(methylsulfonyl)quinazoline

  • Product code: SSC-030914
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1256955-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1256955-28-8 / 4-chloro-7-methylsulfonylquinazoline

Standard CAS: 1256955-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256955-28-8
Multi CAS
No
Molecular Formula
C9H7ClN2O2S
Molecular Weight
242.680000
Exact Mass
241.991676
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)C(=NC=N2)Cl
InChI
InChI=1S/C9H7ClN2O2S/c1-15(13,14)6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3
InChIKey
INGQXEVXIBNUJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
57.66
TPSA
59.92

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-3

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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