CAS RN: 169032-03-5
4-hydroxy-2,3-dihydro-1H-indene-2-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.20250421 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS169032-03-5
- Purity/Analytical Methods: >99.0%
169032-03-5 / 4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
Basic Information
CAS
169032-03-5
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
SMILES
C1C(CC2=C1C=CC=C2O)C(=O)O
InChI
InChI=1S/C10H10O3/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7,11H,4-5H2,(H,12,13)
InChIKey
ZGUJNJZNTYJUCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.64
TPSA
57.53
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
1.4
Consensus LogP
1.21
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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