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CAS 65911-46-8 2-Carbamoyl-6-nitrobenzoic Acid molecular structure lightbox
CAS RN: 65911-46-8

2-Carbamoyl-6-nitrobenzoic Acid

  • Product code: SSC-175533
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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: 5g
  • Available purity: >97%
  • 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 65911-46-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

65911-46-8 / 2-carbamoyl-6-nitrobenzoic acid

Standard CAS: 65911-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65911-46-8
Multi CAS
Yes
Molecular Formula
C8H6N2O5
Molecular Weight
210.140000
Exact Mass
210.027671
InChI
InChI=1S/C8H6N2O5/c9-7(11)4-2-1-3-5(10(14)15)6(4)8(12)13/h1-3H,(H2,9,11)(H,12,13)
InChIKey
QYLIVYPDIARSHA-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
48.57
TPSA
123.53

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.1
Consensus LogP
0.28
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.72

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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