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CAS 333312-05-3 8-METHYLTHIENO[2,3-B]QUINOLINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 333312-05-3

8-METHYLTHIENO[2,3-B]QUINOLINE-2-CARBOXYLIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 100mg In stock Shanghai Inquiry
Batchno.20250217 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251015 1g In stock Shanghai Inquiry
Batchno.20260304 250mg In stock Shanghai Inquiry
  • Product code: SSC-139344
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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: ≥97%
  • 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 333312-05-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

333312-05-3 / 8-methylthieno[2,3-b]quinoline-2-carboxylic acid

Standard CAS: 333312-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
333312-05-3
Multi CAS
No
Molecular Formula
C13H9NO2S
Molecular Weight
243.280000
Exact Mass
243.035400
InChI
InChI=1S/C13H9NO2S/c1-7-3-2-4-8-5-9-6-10(13(15)16)17-12(9)14-11(7)8/h2-6H,1H3,(H,15,16)
InChIKey
GAKUIFOTAALGHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.82
TPSA
50.19

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.5
Consensus LogP
3.34
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-1.75

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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