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CAS 5069-26-1 2-METHYL-5-PHENYLTHIOPHENE molecular structure lightbox
CAS RN: 5069-26-1

2-METHYL-5-PHENYLTHIOPHENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260219 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5069-26-1
  • Purity/Analytical Methods: >99.0%
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5069-26-1 / 2-methyl-5-phenylthiophene

Standard CAS: 5069-26-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5069-26-1
Multi CAS
No
Molecular Formula
C11H10S
Molecular Weight
174.260000
Exact Mass
174.050321
InChI
InChI=1S/C11H10S/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
NEKXRPVOSZHILM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.49
TPSA
28.2000

LogP / Solubility

WLOGP
3.72
MLOGP
3.27
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

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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