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CAS 36997-31-6 benzene-1,3,5-tricarbohydrazide molecular structure lightbox
CAS RN: 36997-31-6

benzene-1,3,5-tricarbohydrazide

  • Product code: SSC-144297
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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 36997-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

36997-31-6 / benzene-1,3,5-tricarbohydrazide

Standard CAS: 36997-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36997-31-6
Multi CAS
No
Molecular Formula
C9H12N6O3
Molecular Weight
252.230000
Exact Mass
252.097088
InChI
InChI=1S/C9H12N6O3/c10-13-7(16)4-1-5(8(17)14-11)3-6(2-4)9(18)15-12/h1-3H,10-12H2,(H,13,16)(H,14,17)(H,15,18)
InChIKey
MNBHRGAIQJFCIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
6
Molar refractivity
61.4
TPSA
165.36

LogP / Solubility

WLOGP
-2.5
MLOGP
-2.2
XLogP3
-2.5
Consensus LogP
-2.4
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.42
Class (SILICOS-IT)
Highly 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)
-6.04

Drug-likeness / Medicinal Chemistry

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

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