CAS RN: 177941-17-2
7-BENZYLOXY-1H-INDAZOLE-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-077810
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
177941-17-2 / 7-phenylmethoxy-1H-indazole-3-carboxylic acid
Basic Information
CAS
177941-17-2
Multi CAS
No
Molecular Formula
C15H12N2O3
Molecular Weight
268.270000
Exact Mass
268.084792
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2NN=C3C(=O)O
InChI
InChI=1S/C15H12N2O3/c18-15(19)14-11-7-4-8-12(13(11)16-17-14)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey
ZFVAAEXVMARVQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.83
TPSA
75.21
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly 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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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