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CAS 69626-98-8 7-OXO-4,7-DIHYDRO-THIENO[3,2-B]PYRIDINE-6-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 69626-98-8

7-OXO-4,7-DIHYDRO-THIENO[3,2-B]PYRIDINE-6-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260402 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-179339
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 69626-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

69626-98-8 / ethyl 7-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate

Standard CAS: 69626-98-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69626-98-8
Multi CAS
Yes
Molecular Formula
C10H9NO3S
Molecular Weight
223.250000
Exact Mass
223.030314
InChI
InChI=1S/C10H9NO3S/c1-2-14-10(13)6-5-11-7-3-4-15-9(7)8(6)12/h3-5H,2H2,1H3,(H,11,12)
InChIKey
WVXUVVDDUHEOBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.4
TPSA
59.16

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
2
Consensus LogP
1.78
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.83

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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