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CAS 38177-07-0 5-nitroisophthaldiamide molecular structure lightbox
CAS RN: 38177-07-0

5-nitroisophthaldiamide

  • Product code: SSC-145700
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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 38177-07-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

38177-07-0 / 5-nitrobenzene-1,3-dicarboxamide

Standard CAS: 38177-07-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38177-07-0
Multi CAS
No
Molecular Formula
C8H7N3O4
Molecular Weight
209.160000
Exact Mass
209.043656
InChI
InChI=1S/C8H7N3O4/c9-7(12)4-1-5(8(10)13)3-6(2-4)11(14)15/h1-3H,(H2,9,12)(H2,10,13)
InChIKey
SDQJTJLJXCWVQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.13
TPSA
129.32

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.18
XLogP3
-0.1
Consensus LogP
-0.16
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.14

Drug-likeness / Medicinal Chemistry

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

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