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CAS 2435-59-8 indigoidine molecular structure lightbox
CAS RN: 2435-59-8

indigoidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 1g Out of stock 15 business days Inquiry
  • Product code: SSC-118630
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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 2435-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2435-59-8 / 3-(5-amino-2-hydroxy-6-oxo-1H-pyridin-3-yl)-5-iminopyridine-2,6-dione

Standard CAS: 2435-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2435-59-8
Multi CAS
No
Molecular Formula
C10H8N4O4
Molecular Weight
248.190000
Exact Mass
248.054555
SMILES
C1=C(C(=O)NC(=O)C1=N)C2=C(NC(=O)C(=C2)N)O
InChI
InChI=1S/C10H8N4O4/c11-5-1-3(7(15)13-9(5)17)4-2-6(12)10(18)14-8(4)16/h1-2,11H,12H2,(H,13,15,17)(H2,14,16,18)
InChIKey
YCZATMZTIWSFLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
61.99
TPSA
149.13

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.12
XLogP3
-1.9
Consensus LogP
-1.43
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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