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CAS 1207-95-0 2-PHENYLBENZO[B]THIOPHENE molecular structure lightbox
CAS RN: 1207-95-0

2-PHENYLBENZO[B]THIOPHENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1207-95-0
  • Purity/Analytical Methods: >99.0%
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1207-95-0 / 2-phenyl-1-benzothiophene

2-Phenylbenzo[b]thiophene | 2-Phenyl-1-benzothiophene | 2-Phenylthianaphthene

Standard CAS: 1207-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1207-95-0
Multi CAS
No
Molecular Formula
C14H10S
Molecular Weight
210.300000
Exact Mass
210.050321
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3S2
InChI
InChI=1S/C14H10S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10H
InChIKey
LBMHPHUSGIEGHJ-UHFFFAOYSA-N
Synonyms
2-Phenylbenzo[b]thiophene 2-Phenyl-1-benzothiophene 2-Phenylthianaphthene 2-phenylbenzothiophene Benzo[b]thiophene, 2-phenyl-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
67.26
TPSA
28.2000

LogP / Solubility

WLOGP
4.57
MLOGP
4.02
XLogP3
4.6
Consensus LogP
4.4
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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)
-0.76

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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