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CAS 1017792-97-0 6-Carboxy-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole, 2-(6-Carboxy-1H-indazol-1-yl)tetrahydro-2H-pyran molecular structure lightbox
CAS RN: 1017792-97-0

6-Carboxy-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole, 2-(6-Carboxy-1H-indazol-1-yl)tetrahydro-2H-pyran

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-002804
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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 1017792-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1017792-97-0 / 1-(oxan-2-yl)indazole-6-carboxylic acid

1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-6-carboxylic acid | 1-(oxan-2-yl)indazole-6-carboxylic acid | 1-(TETRAHYDRO-PYRAN-2-YL)-1H-INDAZOLE-6-CARBOXYLIC ACID

Standard CAS: 1017792-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017792-97-0
Multi CAS
No
Molecular Formula
C13H14N2O3
Molecular Weight
246.260000
Exact Mass
246.100442
SMILES
C1CCOC(C1)N2C3=C(C=CC(=C3)C(=O)O)C=N2
InChI
InChI=1S/C13H14N2O3/c16-13(17)9-4-5-10-8-14-15(11(10)7-9)12-3-1-2-6-18-12/h4-5,7-8,12H,1-3,6H2,(H,16,17)
InChIKey
LNBDAJILRYSSGZ-UHFFFAOYSA-N
Synonyms
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-6-carboxylic acid 1-(oxan-2-yl)indazole-6-carboxylic acid 1-(TETRAHYDRO-PYRAN-2-YL)-1H-INDAZOLE-6-CARBOXYLIC ACID MFCD09909303 1-(Oxan-2-yl)-1H-indazole-6-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.53
TPSA
64.35

LogP / Solubility

WLOGP
2.43
MLOGP
2.15
XLogP3
1.9
Consensus LogP
2.16
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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