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CAS 227617-16-5 “ethyl 4-chloro-1-(4-Methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate” molecular structure lightbox
CAS RN: 227617-16-5

“ethyl 4-chloro-1-(4-Methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate”

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250501 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-110904
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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 227617-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

227617-16-5 / ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate

Standard CAS: 227617-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227617-16-5
Multi CAS
No
Molecular Formula
C17H16ClN3O3
Molecular Weight
345.800000
Exact Mass
345.088019
SMILES
CCOC(=O)C1=CN=C2C(=C1Cl)C=NN2CC3=CC=C(C=C3)OC
InChI
InChI=1S/C17H16ClN3O3/c1-3-24-17(22)14-8-19-16-13(15(14)18)9-20-21(16)10-11-4-6-12(23-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKey
AWNNCSNMXIGQCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
90.59
TPSA
66.24

LogP / Solubility

WLOGP
3.32
MLOGP
2.94
XLogP3
3.2
Consensus LogP
3.15
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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