![CAS 518990-20-0 Pyrano[4,3-c]pyrazole-3-carboxylic acid, 1,4,6,7-tetrahydro- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/518990-20-0.gif)
CAS RN: 518990-20-0
Pyrano[4,3-c]pyrazole-3-carboxylic acid, 1,4,6,7-tetrahydro- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250920 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-158914
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: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
518990-20-0 / 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid
Basic Information
CAS
518990-20-0
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c10-7(11)6-4-3-12-2-1-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
InChIKey
YICMXCDJSOOXSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.91
TPSA
75.21
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
-0.2
Consensus LogP
0.05
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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