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CAS 607723-87-5 4-(2-{[6-(4-methoxyphenoxy)pyrimidin-4-yl]methylamino}ethoxy)benzaldehyde molecular structure lightbox
CAS RN: 607723-87-5

4-(2-{[6-(4-methoxyphenoxy)pyrimidin-4-yl]methylamino}ethoxy)benzaldehyde

  • Product code: SSC-169428
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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: 0.1g
  • 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 607723-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

607723-87-5 / 4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]benzaldehyde

Standard CAS: 607723-87-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
607723-87-5
Multi CAS
Yes
Molecular Formula
C21H21N3O4
Molecular Weight
379.400000
Exact Mass
379.153206
InChI
InChI=1S/C21H21N3O4/c1-26-18-6-8-20(9-7-18)28-21-12-17(23-15-24-21)13-22-10-11-27-19-4-2-16(14-25)3-5-19/h2-9,12,14-15,22H,10-11,13H2,1H3
InChIKey
PEUJMZDHXJJSSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
105.69
TPSA
73.78

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
3.6
Consensus LogP
3.47
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

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
2.5

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