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CAS 307508-66-3 (E)-N’-((1H-indol-3-yl)methylene)-3-((3,5-dihydroxy-1,2,4-triazin-6-yl)amino)propanehydrazide molecular structure lightbox
CAS RN: 307508-66-3

(E)-N’-((1H-indol-3-yl)methylene)-3-((3,5-dihydroxy-1,2,4-triazin-6-yl)amino)propanehydrazide

  • Product code: SSC-135699
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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: 0.25g
  • 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 307508-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

307508-66-3 / 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(1H-indol-3-ylmethylideneamino)propanamide

Standard CAS: 307508-66-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
307508-66-3
Multi CAS
Yes
Molecular Formula
C15H15N7O3
Molecular Weight
341.320000
Exact Mass
341.123637
InChI
InChI=1S/C15H15N7O3/c23-12(5-6-16-13-14(24)19-15(25)22-21-13)20-18-8-9-7-17-11-4-2-1-3-10(9)11/h1-4,7-8,17H,5-6H2,(H,16,21)(H,20,23)(H2,19,22,24,25)/b18-8+
InChIKey
MBEYJURZBQSTJR-QGMBQPNBSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
5
Molar refractivity
92.62
TPSA
147.89

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.08
XLogP3
0.5
Consensus LogP
0.1
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-4.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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