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CAS 179552-75-1 N-(3-chloro-4-fluorophenyl)-7-Methoxy-6-aminoquinazolin-4-aMine molecular structure lightbox
CAS RN: 179552-75-1

N-(3-chloro-4-fluorophenyl)-7-Methoxy-6-aminoquinazolin-4-aMine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 100mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-079996
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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: ＞97%
  • 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 179552-75-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

179552-75-1 / 4-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazoline-4,6-diamine

Standard CAS: 179552-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179552-75-1
Multi CAS
No
Molecular Formula
C15H12ClFN4O
Molecular Weight
318.730000
Exact Mass
318.068367
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)N
InChI
InChI=1S/C15H12ClFN4O/c1-22-14-6-13-9(5-12(14)18)15(20-7-19-13)21-8-2-3-11(17)10(16)4-8/h2-7H,18H2,1H3,(H,19,20,21)
InChIKey
QRZFUQFQXCRJRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.2
TPSA
73.06

LogP / Solubility

WLOGP
3.76
MLOGP
3.32
XLogP3
3.4
Consensus LogP
3.49
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

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

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