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CAS 110651-92-8 7-chloro-6-nitrothieno[3,2-b]pyridine molecular structure lightbox
CAS RN: 110651-92-8

7-chloro-6-nitrothieno[3,2-b]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260523 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS110651-92-8
  • Purity/Analytical Methods: >99.0%
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110651-92-8 / 7-chloro-6-nitrothieno[3,2-b]pyridine

7-Chloro-6-nitrothieno[3,2-b]pyridine | MFCD26383548 | 7-chloro-6-nitro-thieno[3,2-b]pyridine

Standard CAS: 110651-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110651-92-8
Multi CAS
No
Molecular Formula
C7H3ClN2O2S
Molecular Weight
214.630000
Exact Mass
213.960376
SMILES
C1=CSC2=C(C(=CN=C21)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H3ClN2O2S/c8-6-5(10(11)12)3-9-4-1-2-13-7(4)6/h1-3H
InChIKey
RKZKGVJIROTNKJ-UHFFFAOYSA-N
Synonyms
7-Chloro-6-nitrothieno[3,2-b]pyridine MFCD26383548 7-chloro-6-nitro-thieno[3,2-b]pyridine Thieno[3,2-b]pyridine, 7-chloro-6-nitro- SCHEMBL3548733

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.28
TPSA
56.03

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.4
Consensus LogP
2.59
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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