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CAS 1437315-22-4 BenzaMide, 3-aMino-N-[4-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]phenyl]- molecular structure lightbox
CAS RN: 1437315-22-4

BenzaMide, 3-aMino-N-[4-[[4-(3-pyridinyl)-2-pyriMidinyl]aMino]phenyl]-

  • Product code: SSC-055087
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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
  • 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 1437315-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1437315-22-4 / 3-amino-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Standard CAS: 1437315-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1437315-22-4
Multi CAS
No
Molecular Formula
C22H18N6O
Molecular Weight
382.400000
Exact Mass
382.154209
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C22H18N6O/c23-17-5-1-3-15(13-17)21(29)26-18-6-8-19(9-7-18)27-22-25-12-10-20(28-22)16-4-2-11-24-14-16/h1-14H,23H2,(H,26,29)(H,25,27,28)
InChIKey
GMWWFXJTPIIQGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
113.8
TPSA
105.82

LogP / Solubility

WLOGP
4.12
MLOGP
3.64
XLogP3
2.8
Consensus LogP
3.52
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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