CAS RN: 650603-96-6
4,5,6,7,8,9-HEXAHYDRO-1H-CYCLOOCTAPYRAZOLE-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260509 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS650603-96-6
- Purity/Analytical Methods: >99.0%
650603-96-6 / 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxylic acid
Basic Information
CAS
650603-96-6
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
InChI
InChI=1S/C10H14N2O2/c13-10(14)9-7-5-3-1-2-4-6-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)
InChIKey
QWSJZJQYRJNMSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.42
TPSA
65.98
LogP / Solubility
WLOGP
1.77
MLOGP
1.55
XLogP3
2.4
Consensus LogP
1.91
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-2.65
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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