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CAS 1207557-35-4 Ethyl 6-BroMo-4-Methoxypyrazolo[1,5-A]pyridine-3-carboxylate molecular structure lightbox
CAS RN: 1207557-35-4

Ethyl 6-BroMo-4-Methoxypyrazolo[1,5-A]pyridine-3-carboxylate

  • Product code: SSC-021984
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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 1207557-35-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1207557-35-4 / ethyl 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylate | MFCD17926418 | 6-Bromo-4-methoxy-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester

Standard CAS: 1207557-35-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1207557-35-4
Multi CAS
No
Molecular Formula
C11H11BrN2O3
Molecular Weight
299.120000
Exact Mass
297.995300
SMILES
CCOC(=O)C1=C2C(=CC(=CN2N=C1)Br)OC
InChI
InChI=1S/C11H11BrN2O3/c1-3-17-11(15)8-5-13-14-6-7(12)4-9(16-2)10(8)14/h4-6H,3H2,1-2H3
InChIKey
SPTBJSZTWDNCHO-UHFFFAOYSA-N
Synonyms
ethyl 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylate MFCD17926418 6-Bromo-4-methoxy-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester SCHEMBL1845566 SPTBJSZTWDNCHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
65.4
TPSA
52.83

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.92

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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