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CAS 1533432-50-6 1533432-50-6 molecular structure lightbox
CAS RN: 1533432-50-6

1533432-50-6

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260224 25mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-062823
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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, 0.25g
  • 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 1533432-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1533432-50-6 / tert-butyl 7-(6-nitro-3-pyridinyl)pyrido[4,3-b]indole-5-carboxylate

Standard CAS: 1533432-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1533432-50-6
Multi CAS
No
Molecular Formula
C21H18N4O4
Molecular Weight
390.400000
Exact Mass
390.132805
SMILES
CC(C)(C)OC(=O)N1C2=C(C=NC=C2)C3=C1C=C(C=C3)C4=CN=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H18N4O4/c1-21(2,3)29-20(26)24-17-8-9-22-12-16(17)15-6-4-13(10-18(15)24)14-5-7-19(23-11-14)25(27)28/h4-12H,1-3H3
InChIKey
ISMSBSWTELQKON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
19
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
108.76
TPSA
100.15

LogP / Solubility

WLOGP
4.94
MLOGP
4.37
XLogP3
4.3
Consensus LogP
4.54
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.59

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
3

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