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CAS 2458-12-0 3-Amino-4-methylbenzoic Acid molecular structure lightbox
CAS RN: 2458-12-0

3-Amino-4-methylbenzoic Acid

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251225 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-119369
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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: 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • 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 2458-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 5 In Stock Shanghai Inquiry
100g >98% 5 In Stock Hong Kong Inquiry
500g >98% 0 Out of Stock Shenzhen Inquiry
1000g >98% 0 Out of Stock Beijing Inquiry

2458-12-0 / 3-amino-4-methylbenzoic acid

Standard CAS: 2458-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2458-12-0
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
SMILES
CC1=C(C=C(C=C1)C(=O)O)N
InChI
InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey
XKFIFYROMAAUDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.55
TPSA
63.32

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
0.3
Consensus LogP
0.9
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.74

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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