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CAS 3816-62-4 METHYL 2-AMINO-5-NITROBENZOATE molecular structure lightbox
CAS RN: 3816-62-4

METHYL 2-AMINO-5-NITROBENZOATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251023 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-145666
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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: 5g, 10g, 25g, 100g, 1g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 3816-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shanghai Inquiry
100g >95% 5 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
500g >95% 0 Out of Stock Shanghai Inquiry

3816-62-4 / methyl 2-amino-5-nitrobenzoate

Standard CAS: 3816-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3816-62-4
Multi CAS
No
Molecular Formula
C8H8N2O4
Molecular Weight
196.160000
Exact Mass
196.048407
InChI
InChI=1S/C8H8N2O4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,9H2,1H3
InChIKey
VOQBLPBLKSXCDB-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
2.5
Consensus LogP
1.44
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

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