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CAS 1104630-93-4 3-Bromo-thieno[3,2-b]pyridine-2-carboxylic acid molecular structure lightbox
CAS RN: 1104630-93-4

3-Bromo-thieno[3,2-b]pyridine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-011529
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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 1104630-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1104630-93-4 / 3-bromothieno[3,2-b]pyridine-2-carboxylic acid

3-bromothieno[3,2-b]pyridine-2-carboxylic acid | 3-bromo-thieno[3,2-b]pyridine-2-carboxylic acid | MFCD25955486

Standard CAS: 1104630-93-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1104630-93-4
Multi CAS
No
Molecular Formula
C8H4BrNO2S
Molecular Weight
258.090000
Exact Mass
256.914610
SMILES
C1=CC2=C(C(=C(S2)C(=O)O)Br)N=C1
InChI
InChI=1S/C8H4BrNO2S/c9-5-6-4(2-1-3-10-6)13-7(5)8(11)12/h1-3H,(H,11,12)
InChIKey
AQXGWYFJQUCGCC-UHFFFAOYSA-N
Synonyms
3-bromothieno[3,2-b]pyridine-2-carboxylic acid 3-bromo-thieno[3,2-b]pyridine-2-carboxylic acid MFCD25955486 SCHEMBL1098450 CHEMBL5598979

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.28
TPSA
50.19

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.5
Consensus LogP
2.56
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.34

Drug-likeness / Medicinal Chemistry

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

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