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CAS 3515-30-8 [2,2′]BITHIOPHENYL-5-YL-METHANOL molecular structure lightbox
CAS RN: 3515-30-8

[2,2′]BITHIOPHENYL-5-YL-METHANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3515-30-8
  • Purity/Analytical Methods: >99.0%
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3515-30-8 / (5-thiophen-2-ylthiophen-2-yl)methanol

Standard CAS: 3515-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3515-30-8
Multi CAS
No
Molecular Formula
C9H8OS2
Molecular Weight
196.300000
Exact Mass
196.001657
InChI
InChI=1S/C9H8OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5,10H,6H2
InChIKey
PUWTXRUXHPHFSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.55
TPSA
20.23

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
2.1
Consensus LogP
2.56
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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