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CAS 1759-29-1 5-methylthieno[3,2-b]pyridine molecular structure lightbox
CAS RN: 1759-29-1

5-methylthieno[3,2-b]pyridine

  • Product code: SSC-077126
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1759-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry

1759-29-1 / 5-methylthieno[3,2-b]pyridine

Standard CAS: 1759-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1759-29-1
Multi CAS
No
Molecular Formula
C8H7NS
Molecular Weight
149.210000
Exact Mass
149.029920
SMILES
CC1=NC2=C(C=C1)SC=C2
InChI
InChI=1S/C8H7NS/c1-6-2-3-8-7(9-6)4-5-10-8/h2-5H,1H3
InChIKey
FLWXYOZWTCSAQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
44.36
TPSA
12.89

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

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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