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CAS 162012-67-1 N-(3-Chloro-4-fluorophenyl)-7-fluoro-6-nitro-4-quinazolinamine molecular structure lightbox
CAS RN: 162012-67-1

N-(3-Chloro-4-fluorophenyl)-7-fluoro-6-nitro-4-quinazolinamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-069518
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 5g, 1g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 162012-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 3 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
25g ≥97% 1 In Stock Hong Kong Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

162012-67-1 / N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

Standard CAS: 162012-67-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
162012-67-1
Multi CAS
No
Molecular Formula
C14H7ClF2N4O2
Molecular Weight
336.680000
Exact Mass
336.022560
SMILES
C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)Cl)F
InChI
InChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
InChIKey
CJOJDNRJDBWZKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.84
TPSA
80.95

LogP / Solubility

WLOGP
4.21
MLOGP
3.72
XLogP3
4.1
Consensus LogP
4.01
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.78

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
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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