![CAS 1160247-96-0 2′,3′,5′,6′-Tetrahydrospiro[indoline-3,4′-pyran]-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160247-96-0.gif)
CAS RN: 1160247-96-0
2′,3′,5′,6′-Tetrahydrospiro[indoline-3,4′-pyran]-5-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251112 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260629 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251029 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250211 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260302 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1160247-96-0
- Purity/Analytical Methods: >99.0%
1160247-96-0 / spiro[1,2-dihydroindole-3,4'-oxane]-5-carboxylic acid
2',3',5',6'-TETRAHYDROSPIRO[INDOLINE-3,4'-PYRAN]-5-CARBOXYLIC ACID | MFCD12198652 | spiro[1,2-dihydroindole-3,4'-oxane]-5-carboxylic acid
Basic Information
CAS
1160247-96-0
Multi CAS
No
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
SMILES
C1COCCC12CNC3=C2C=C(C=C3)C(=O)O
InChI
InChI=1S/C13H15NO3/c15-12(16)9-1-2-11-10(7-9)13(8-14-11)3-5-17-6-4-13/h1-2,7,14H,3-6,8H2,(H,15,16)
InChIKey
CNNBNDRSNFMSKE-UHFFFAOYSA-N
Synonyms
2',3',5',6'-TETRAHYDROSPIRO[INDOLINE-3,4'-PYRAN]-5-CARBOXYLIC ACID
MFCD12198652
spiro[1,2-dihydroindole-3,4'-oxane]-5-carboxylic acid
2',3',5',6'-Tetrahydrospiro[indoline-3,4'-pyran]-5-carboxylicacid
PB11003
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.62
TPSA
58.56
LogP / Solubility
WLOGP
1.86
MLOGP
1.64
XLogP3
1.6
Consensus LogP
1.7
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.82
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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