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CAS 753491-32-6 3,8-Di(thien-2-yl)-1,10-phenanthroline molecular structure lightbox
CAS RN: 753491-32-6

3,8-Di(thien-2-yl)-1,10-phenanthroline

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251003 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250628 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250907 1g Out of stock Inquiry
Batchno.20250207 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS753491-32-6
  • Purity/Analytical Methods: >99.0%
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753491-32-6 / 3,8-dithiophen-2-yl-1,10-phenanthroline

Standard CAS: 753491-32-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
753491-32-6
Multi CAS
Yes
Molecular Formula
C20H12N2S2
Molecular Weight
344.500000
Exact Mass
344.044191
InChI
InChI=1S/C20H12N2S2/c1-3-17(23-7-1)15-9-13-5-6-14-10-16(18-4-2-8-24-18)12-22-20(14)19(13)21-11-15/h1-12H
InChIKey
KZXODWQOXSIVDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
103.67
TPSA
25.78

LogP / Solubility

WLOGP
6.24
MLOGP
5.51
XLogP3
5.1
Consensus LogP
5.62
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-6.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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