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CAS 1080622-86-1 CP466722 molecular structure lightbox
CAS RN: 1080622-86-1

CP466722

Product Availability

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260328 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 100mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 100mg In stock Inquiry
Batchno.20250207 250mg In stock Inquiry
Batchno.20250420 25mg In stock Inquiry
Batchno.20260325 50mg In stock Inquiry
Batchno.20251002 5mg In stock Inquiry
  • Product code: SSC-009341
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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
  • 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 1080622-86-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1080622-86-1 / 2-(6,7-dimethoxyquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine

CP-466722 | CP466722 | CP 466722

Standard CAS: 1080622-86-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1080622-86-1
Multi CAS
Yes
Molecular Formula
C17H15N7O2
Molecular Weight
349.300000
Exact Mass
349.128723
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3C(=NC(=N3)C4=CC=CC=N4)N)OC
InChI
InChI=1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)
InChIKey
ILBRKJBKDGCSCB-UHFFFAOYSA-N
Synonyms
CP-466722 CP466722 CP 466722 2-(6,7-dimethoxyquinazolin-4-yl)-5-pyridin-2-yl-1,2,4-triazol-3-amine RefChem:919138

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
95.2
TPSA
113.86

LogP / Solubility

WLOGP
1.87
MLOGP
1.67
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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