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CAS 635712-88-8 tert-butyl 7,7-diMethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate molecular structure lightbox
CAS RN: 635712-88-8

tert-butyl 7,7-diMethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate

  • Product code: SSC-173273
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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 635712-88-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

635712-88-8 / tert-butyl 7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carboxylate

Standard CAS: 635712-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
635712-88-8
Multi CAS
No
Molecular Formula
C13H21N3O2
Molecular Weight
251.320000
Exact Mass
251.163377
InChI
InChI=1S/C13H21N3O2/c1-12(2,3)18-11(17)16-7-9-6-14-15-10(9)13(4,5)8-16/h6H,7-8H2,1-5H3,(H,14,15)
InChIKey
KTJZXUZVDHAVAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.26
TPSA
58.22

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.52

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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