![CAS 1185012-60-5 2′,4′,6′,7′-tetrahydrospiro[1,3-dioxolane-2,5′-indazole] hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185012-60-5.gif)
CAS RN: 1185012-60-5
2′,4′,6′,7′-tetrahydrospiro[1,3-dioxolane-2,5′-indazole] hydrochloride
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.20260128 | 500mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1185012-60-5
- Purity/Analytical Methods: >99.0%
1185012-60-5 / spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole];hydrochloride
2',4',6',7'-tetrahydrospiro[1,3-dioxolane-2,5'-indazole] hydrochloride | MFCD12028431 | spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole];hydrochloride
Basic Information
CAS
1185012-60-5
Multi CAS
Yes
Molecular Formula
C9H13ClN2O2
Molecular Weight
216.660000
Exact Mass
216.066555
SMILES
C1CC2(CC3=C1NN=C3)OCCO2.Cl
InChI
InChI=1S/C9H12N2O2.ClH/c1-2-9(12-3-4-13-9)5-7-6-10-11-8(1)7;/h6H,1-5H2,(H,10,11);1H
InChIKey
GAPKJWCLLIVLPV-UHFFFAOYSA-N
Synonyms
2',4',6',7'-tetrahydrospiro[1,3-dioxolane-2,5'-indazole] hydrochloride
MFCD12028431
spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole];hydrochloride
2,4,6,7-Tetrahydrospiro[indazole-5,2'-[1,3]dioxolane] hydrochloride
2',4',6',7'-Tetrahydrospiro[[1,3]dioxolane-2,5'-indazole] hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.5
TPSA
47.14
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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