![CAS 1567814-82-7 10-Chloro-7,7-dimethyl-7H-12-oxa-indeno[1,2-a]fluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1567814-82-7.gif)
CAS RN: 1567814-82-7
10-Chloro-7,7-dimethyl-7H-12-oxa-indeno[1,2-a]fluorene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260516 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1567814-82-7
- Purity/Analytical Methods: >99.0%
1567814-82-7 / 10-chloro-7,7-dimethylfluoreno[4,3-b][1]benzofuran
Basic Information
CAS
1567814-82-7
Multi CAS
No
Molecular Formula
C21H15ClO
Molecular Weight
318.800000
Exact Mass
318.081143
SMILES
CC1(C2=C(C=C(C=C2)Cl)C3=C1C=CC4=C3OC5=CC=CC=C45)C
InChI
InChI=1S/C21H15ClO/c1-21(2)16-9-7-12(22)11-15(16)19-17(21)10-8-14-13-5-3-4-6-18(13)23-20(14)19/h3-11H,1-2H3
InChIKey
DKNYTXIXMCTZQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
19
Fraction Csp3
0.14
H-bond acceptors
1
Molar refractivity
96.29
TPSA
13.14
LogP / Solubility
WLOGP
6.55
MLOGP
5.77
XLogP3
6.8
Consensus LogP
6.37
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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