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CAS 35998-96-0 Methyl 5-aMino-2-nitro benzoate molecular structure lightbox
CAS RN: 35998-96-0

Methyl 5-aMino-2-nitro benzoate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260427 10g In stock Inquiry
Batchno.20260302 1g In stock Inquiry
Batchno.20260305 250mg In stock Inquiry
Batchno.20250707 25g Out of stock Inquiry
Batchno.20251008 5g In stock Inquiry
  • Product code: SSC-143089
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 35998-96-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry

35998-96-0 / methyl 5-amino-2-nitrobenzoate

Standard CAS: 35998-96-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
35998-96-0
Multi CAS
No
Molecular Formula
C8H8N2O4
Molecular Weight
196.160000
Exact Mass
196.048407
SMILES
COC(=O)C1=C(C=CC(=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,9H2,1H3
InChIKey
HBQRFDGMJZUGQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.85
TPSA
95.46

LogP / Solubility

WLOGP
0.96
MLOGP
0.85
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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