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CAS 945553-94-6 N-(3-Chloro-4-fluorophenyl)-6-nitro-7-(phenylsulfonyl)-4-quinazolinaMine molecular structure lightbox
CAS RN: 945553-94-6

N-(3-Chloro-4-fluorophenyl)-6-nitro-7-(phenylsulfonyl)-4-quinazolinaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-209617
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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 945553-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

945553-94-6 / 7-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine

Standard CAS: 945553-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
945553-94-6
Multi CAS
No
Molecular Formula
C20H12CLFN4O4S
Molecular Weight
458.900000
Exact Mass
458.025182
InChI
InChI=1S/C20H12ClFN4O4S/c21-15-8-12(6-7-16(15)22)25-20-14-9-18(26(27)28)19(10-17(14)23-11-24-20)31(29,30)13-4-2-1-3-5-13/h1-11H,(H,23,24,25)
InChIKey
IBXBOQKFZSMVOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
22
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
112.78
TPSA
115.09

LogP / Solubility

WLOGP
4.91
MLOGP
4.35
XLogP3
4.8
Consensus LogP
4.69
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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