CAS RN: 66041-27-8
7-Chloro-2,3-dihydro-1H-indene-1-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.20250428 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS66041-27-8
- Purity/Analytical Methods: >99.0%
66041-27-8 / 7-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
Basic Information
CAS
66041-27-8
Multi CAS
No
Molecular Formula
C10H9CLO2
Molecular Weight
196.630000
Exact Mass
196.029107
InChI
InChI=1S/C10H9ClO2/c11-8-3-1-2-6-4-5-7(9(6)8)10(12)13/h1-3,7H,4-5H2,(H,12,13)
InChIKey
VGTKWUFJTDUXJN-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
1
H-bond donors
1
Molar refractivity
50.15
TPSA
37.3
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.18
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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