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CAS 1142210-81-8 5-tert-butyl 3-ethyl 1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate molecular structure lightbox
CAS RN: 1142210-81-8

5-tert-butyl 3-ethyl 1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260630 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-014101
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞96%
  • 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 1142210-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞96% 0 Out of Stock Shanghai Inquiry
0.25g ＞96% 0 Out of Stock Shenzhen Inquiry
1g ＞96% 0 Out of Stock Shanghai Inquiry
5g ＞96% 0 Out of Stock Beijing Inquiry

1142210-81-8 / 5-O-tert-butyl 3-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate

5-tert-butyl 3-ethyl 1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate | MFCD12028383 | 5-tert-Butyl 3-ethyl 1-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate

Standard CAS: 1142210-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142210-81-8
Multi CAS
No
Molecular Formula
C15H23N3O4
Molecular Weight
309.360000
Exact Mass
309.168856
SMILES
CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H23N3O4/c1-6-21-13(19)12-10-9-18(14(20)22-15(2,3)4)8-7-11(10)17(5)16-12/h6-9H2,1-5H3
InChIKey
QJWBZDDJPIXERQ-UHFFFAOYSA-N
Synonyms
5-tert-butyl 3-ethyl 1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate MFCD12028383 5-tert-Butyl 3-ethyl 1-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate 5-(tert-Butyl) 3-ethyl 1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate 5-O-tert-butyl 3-O-ethyl 1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
79.51
TPSA
73.66

LogP / Solubility

WLOGP
1.89
MLOGP
1.68
XLogP3
1.5
Consensus LogP
1.69
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

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

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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