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CAS 1024388-72-4 3-Amino-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 1024388-72-4

3-Amino-4-methyl-thieno[2,3-b]pyridine-2-carboxylic acid methyl ester

  • Product code: SSC-003712
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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 1024388-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1024388-72-4 / methyl 3-amino-4-methylthieno[2,3-b]pyridine-2-carboxylate

methyl 3-amino-4-methylthieno[2,3-b]pyridine-2-carboxylate | methyl3-amino-4-methylthieno[2,3-b]pyridine-2-carboxylate | SCHEMBL26026100

Standard CAS: 1024388-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1024388-72-4
Multi CAS
No
Molecular Formula
C10H10N2O2S
Molecular Weight
222.270000
Exact Mass
222.046299
SMILES
CC1=C2C(=C(SC2=NC=C1)C(=O)OC)N
InChI
InChI=1S/C10H10N2O2S/c1-5-3-4-12-9-6(5)7(11)8(15-9)10(13)14-2/h3-4H,11H2,1-2H3
InChIKey
BFRQCIMISSDBIR-UHFFFAOYSA-N
Synonyms
methyl 3-amino-4-methylthieno[2,3-b]pyridine-2-carboxylate methyl3-amino-4-methylthieno[2,3-b]pyridine-2-carboxylate SCHEMBL26026100 EN300-7499277 Z1862016136

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.11
TPSA
65.21

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
2.6
Consensus LogP
2.1
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.67

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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