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CAS 312694-02-3 6-[2-Propyl-4-(4-pyridylazo)phenoxy]hexanoic Acid molecular structure lightbox
CAS RN: 312694-02-3

6-[2-Propyl-4-(4-pyridylazo)phenoxy]hexanoic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-136553
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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 312694-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

312694-02-3 / 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid

Standard CAS: 312694-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312694-02-3
Multi CAS
No
Molecular Formula
C20H25N3O3
Molecular Weight
355.400000
Exact Mass
355.189592
InChI
InChI=1S/C20H25N3O3/c1-2-6-16-15-18(23-22-17-10-12-21-13-11-17)8-9-19(16)26-14-5-3-4-7-20(24)25/h8-13,15H,2-7,14H2,1H3,(H,24,25)
InChIKey
RKSDFQDWVOJLAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.45
TPSA
84.14

LogP / Solubility

WLOGP
5.47
MLOGP
4.84
XLogP3
4.5
Consensus LogP
4.94
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
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)
-1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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