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CAS 24812-89-3 Methyl 3-aMino-2,4-diMethylbenzoate molecular structure lightbox
CAS RN: 24812-89-3

Methyl 3-aMino-2,4-diMethylbenzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-119918
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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: 1g
  • Available purity: ＞95%
  • 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 24812-89-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

24812-89-3 / methyl 3-amino-2,4-dimethylbenzoate

Standard CAS: 24812-89-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24812-89-3
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CC1=C(C(=C(C=C1)C(=O)OC)C)N
InChI
InChI=1S/C10H13NO2/c1-6-4-5-8(10(12)13-3)7(2)9(6)11/h4-5H,11H2,1-3H3
InChIKey
VXCDYRLZDFQUCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.67
TPSA
52.32

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.8
Consensus LogP
1.65
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.63

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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