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CAS 61553-71-7 4H-Pyrimido[5,4-b]indol-4-one, 3,5-dihydro- molecular structure lightbox
CAS RN: 61553-71-7

4H-Pyrimido[5,4-b]indol-4-one, 3,5-dihydro-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-170481
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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 61553-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

61553-71-7 / 3,9b-dihydropyrimido[5,4-b]indol-4-one

Standard CAS: 61553-71-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61553-71-7
Multi CAS
Yes
Molecular Formula
C10H7N3O
Molecular Weight
185.180000
Exact Mass
185.058912
InChI
InChI=1S/C10H7N3O/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5,13H,(H,11,12,14)
InChIKey
SQKANMIJNAMTAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.91
TPSA
53.82

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
0.5
Consensus LogP
0.77
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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