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CAS 39549-79-6 2-Amino-4-methylbenzamide molecular structure lightbox
CAS RN: 39549-79-6

2-Amino-4-methylbenzamide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250502 1g In stock Inquiry
Batchno.20250508 250mg In stock Inquiry
Batchno.20250517 25g In stock Inquiry
Batchno.20260501 5g In stock Inquiry
  • Product code: SSC-147226
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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: 5g
  • 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 39549-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

39549-79-6 / 2-amino-4-methylbenzamide

Standard CAS: 39549-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39549-79-6
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
InChI
InChI=1S/C8H10N2O/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H2,10,11)
InChIKey
RUHKZVAPXHIWJH-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
44.11
TPSA
69.11

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.16

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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