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CAS 1033772-23-4 3-b]pyridine-5-carboxylate molecular structure lightbox
CAS RN: 1033772-23-4

3-b]pyridine-5-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-004879
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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: 0.25g
  • 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 1033772-23-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1033772-23-4 / methyl 1H-pyrazolo[4,5-b]pyridine-5-carboxylate

METHYL 1H-PYRAZOLO[4,3-B]PYRIDINE-5-CARBOXYLATE | Methyl 1H-pyrazolo(4,3-b)pyridine-5-carboxylate | RefChem:353500

Standard CAS: 1033772-23-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1033772-23-4
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
COC(=O)C1=NC2=C(C=C1)NN=C2
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)6-3-2-5-7(10-6)4-9-11-5/h2-4H,1H3,(H,9,11)
InChIKey
RDBBFJAPMNVENH-UHFFFAOYSA-N
Synonyms
METHYL 1H-PYRAZOLO[4,3-B]PYRIDINE-5-CARBOXYLATE Methyl 1H-pyrazolo(4,3-b)pyridine-5-carboxylate RefChem:353500 976-292-7 MFCD19690202

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.23
TPSA
67.87

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.8
Consensus LogP
0.73
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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