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CAS 31823-19-5 5-chloro-2-(methylamino)benzamide molecular structure lightbox
CAS RN: 31823-19-5

5-chloro-2-(methylamino)benzamide

  • Product code: SSC-137268
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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 31823-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

31823-19-5 / 5-chloro-2-(methylamino)benzamide

Standard CAS: 31823-19-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31823-19-5
Multi CAS
Yes
Molecular Formula
C8H9CLN2O
Molecular Weight
184.620000
Exact Mass
184.040341
InChI
InChI=1S/C8H9ClN2O/c1-11-7-3-2-5(9)4-6(7)8(10)12/h2-4,11H,1H3,(H2,10,12)
InChIKey
ZUYIIDOKGIRIKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.52
TPSA
55.12

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.9
Consensus LogP
1.56
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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