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CAS 77603-42-0 8-Nitrotryptanthrin molecular structure lightbox
CAS RN: 77603-42-0

8-Nitrotryptanthrin

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100mg In stock Shanghai Inquiry
Batchno.20251020 10mg In stock Shanghai Inquiry
Batchno.20250201 1g Out of stock Inquiry
Batchno.20250203 1mg In stock Shanghai Inquiry
Batchno.20260517 250mg In stock Shanghai Inquiry
Batchno.20250310 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20251007 5mg In stock Shanghai Inquiry
Batchno.20260418 5mg / 10mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-187165
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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 77603-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

77603-42-0 / 8-nitroindolo[2,1-b]quinazoline-6,12-dione

Standard CAS: 77603-42-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77603-42-0
Multi CAS
Yes
Molecular Formula
C15H7N3O4
Molecular Weight
293.230000
Exact Mass
293.043656
InChI
InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
InChIKey
UFMQJYHLIUACCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
77.43
TPSA
95.1

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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