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CAS 865169-07-9 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid molecular structure lightbox
CAS RN: 865169-07-9

4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250513 100mg In stock Shanghai Inquiry
Batchno.20260314 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20250612 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250210 250mg In stock Shanghai Inquiry
Batchno.20260620 5g Out of stock Inquiry
  • Product code: SSC-195655
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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: ＞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 865169-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

865169-07-9 / 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid

Standard CAS: 865169-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865169-07-9
Multi CAS
No
Molecular Formula
C20H12N4O2
Molecular Weight
340.300000
Exact Mass
340.096026
InChI
InChI=1S/C20H12N4O2/c25-20(26)12-7-5-11(6-8-12)19-23-17-13-3-1-9-21-15(13)16-14(18(17)24-19)4-2-10-22-16/h1-10H,(H,23,24)(H,25,26)
InChIKey
KMTSPRCZFZYYKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
23
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
99.09
TPSA
91.76

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
3.2
Consensus LogP
3.59
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

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
3.5

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