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CAS 81820-65-7 4-Phenylthieno[3,2-c]pyridine molecular structure lightbox
CAS RN: 81820-65-7

4-Phenylthieno[3,2-c]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS81820-65-7
  • Purity/Analytical Methods: >99.0%
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81820-65-7 / 4-phenylthieno[3,2-c]pyridine

Standard CAS: 81820-65-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81820-65-7
Multi CAS
No
Molecular Formula
C13H9NS
Molecular Weight
211.280000
Exact Mass
211.045570
InChI
InChI=1S/C13H9NS/c1-2-4-10(5-3-1)13-11-7-9-15-12(11)6-8-14-13/h1-9H
InChIKey
UEXKIEYHNLJFQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
65.06
TPSA
12.89

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
3.5
Consensus LogP
3.65
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-1.19

Drug-likeness / Medicinal Chemistry

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

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