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CAS 72808-92-5 2-BroMothieno[2,3-b]pyridine molecular structure lightbox
CAS RN: 72808-92-5

2-BroMothieno[2,3-b]pyridine

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Batchno.20250519 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS72808-92-5
  • Purity/Analytical Methods: >99.0%
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72808-92-5 / 2-bromothieno[2,3-b]pyridine

Standard CAS: 72808-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72808-92-5
Multi CAS
No
Molecular Formula
BC7H4RnS
Molecular Weight
214.080000
Exact Mass
212.924780
InChI
InChI=1S/C7H4BrNS/c8-6-4-5-2-1-3-9-7(5)10-6/h1-4H
InChIKey
UAMUSRIEEHYHBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
47.32
TPSA
12.89

LogP / Solubility

WLOGP
3.06
MLOGP
2.69
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

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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