CAS RN: 2437-08-3
INDAN-2 2-DICARBOXYLIC ACID 97
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.20260425 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2437-08-3
- Purity/Analytical Methods: >99.0%
2437-08-3 / 1,3-dihydroindene-2,2-dicarboxylic acid
Basic Information
CAS
2437-08-3
Multi CAS
No
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
SMILES
C1C2=CC=CC=C2CC1(C(=O)O)C(=O)O
InChI
InChI=1S/C11H10O4/c12-9(13)11(10(14)15)5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKey
RYGAENQWIQPFAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.55
TPSA
74.6
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
1.3
Consensus LogP
1.02
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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