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CAS 143205-66-7 3-HYDROXY-4-(5-NITROPYRIDYLAZO)PROPYLANI molecular structure lightbox
CAS RN: 143205-66-7

3-HYDROXY-4-(5-NITROPYRIDYLAZO)PROPYLANI

  • Product code: SSC-054552
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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 143205-66-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

143205-66-7 / sodium 3-[3-hydroxy-4-[(5-nitro-2-pyridinyl)diazenyl]-N-propylanilino]propane-1-sulfonate

Standard CAS: 143205-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143205-66-7
Multi CAS
No
Molecular Formula
C17H20N5NaO6S
Molecular Weight
445.400000
Exact Mass
445.103199
SMILES
CCCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)[N+](=O)[O-])O.[Na+]
InChI
InChI=1S/C17H21N5O6S.Na/c1-2-8-21(9-3-10-29(26,27)28)13-4-6-15(16(23)11-13)19-20-17-7-5-14(12-18-17)22(24)25;/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,26,27,28);/q;+1/p-1
InChIKey
ZLLMYPVFZJLNKV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
1
Molar refractivity
104.86
TPSA
161.42

LogP / Solubility

WLOGP
0.27
MLOGP
0.26
XLogP3
0.27
Consensus LogP
0.27
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-5.25

Drug-likeness / Medicinal Chemistry

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

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