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CAS 14315-12-9 3-Phenylbenzo[b]thiophene molecular structure lightbox
CAS RN: 14315-12-9

3-Phenylbenzo[b]thiophene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS14315-12-9
  • Purity/Analytical Methods: >99.0%
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14315-12-9 / 3-phenyl-1-benzothiophene

Standard CAS: 14315-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14315-12-9
Multi CAS
No
Molecular Formula
C14H10S
Molecular Weight
210.300000
Exact Mass
210.050321
SMILES
C1=CC=C(C=C1)C2=CSC3=CC=CC=C32
InChI
InChI=1S/C14H10S/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-10H
InChIKey
HZYRPUKLUAUOMF-UHFFFAOYSA-N

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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