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CAS 578-46-1 5-METHYL-2-NITROANILINE molecular structure lightbox
CAS RN: 578-46-1

5-METHYL-2-NITROANILINE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250529 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-165991
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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: 0.25g, 1g, 5g, 10g
  • 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 578-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

578-46-1 / 5-methyl-2-nitroaniline

Standard CAS: 578-46-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
578-46-1
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,8H2,1H3
InChIKey
IGDYNWKWXUCIJB-UHFFFAOYSA-N

Physical Properties

Melting Point
234 °F (NTP, 1992)
Physical Description
5-methyl-2-nitroaniline appears as yellow leaflets (from water) or orange powder. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.25
TPSA
69.16

LogP / Solubility

WLOGP
1.49
MLOGP
1.3
XLogP3
2
Consensus LogP
1.6
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

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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