CAS RN: 1199782-69-8
7-Chloro-5-hydroxy-2,3-dihydro-1H-inden-1-one
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.20250430 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1199782-69-8
- Purity/Analytical Methods: >99.0%
1199782-69-8 / 7-chloro-5-hydroxy-2,3-dihydroinden-1-one
DTXSID101252354 | 7-Chloro-2,3-dihydro-5-hydroxy-1H-inden-1-one | RefChem:546074
Basic Information
CAS
1199782-69-8
Multi CAS
Yes
Molecular Formula
C9H7ClO2
Molecular Weight
182.600000
Exact Mass
182.013457
SMILES
C1CC(=O)C2=C1C=C(C=C2Cl)O
InChI
InChI=1S/C9H7ClO2/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4,11H,1-2H2
InChIKey
KDRCVDSYTJRFMF-UHFFFAOYSA-N
Synonyms
DTXSID101252354
7-Chloro-2,3-dihydro-5-hydroxy-1H-inden-1-one
RefChem:546074
DTXCID901683143
7-Chloro-5-hydroxy-2,3-dihydro-1H-inden-1-one
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.77
TPSA
37.3
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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