CAS RN: 118290-05-4
DDAO
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260321 | 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS118290-05-4
- Purity/Analytical Methods: >99.0%
118290-05-4 / 6,8-dichloro-7-hydroxy-9,9-dimethylacridin-2-one
1,3-dichloro-7-hydroxy-9,9-dimethylacridin-2(9H)-one | 6,8-dichloro-7-hydroxy-9,9-dimethylacridin-2-one | DDAO dye
Basic Information
CAS
118290-05-4
Multi CAS
Yes
Molecular Formula
C15H11Cl2NO2
Molecular Weight
308.200000
Exact Mass
307.016684
SMILES
CC1(C2=CC(=O)C=CC2=NC3=CC(=C(C(=C31)Cl)O)Cl)C
InChI
InChI=1S/C15H11Cl2NO2/c1-15(2)8-5-7(19)3-4-10(8)18-11-6-9(16)14(20)13(17)12(11)15/h3-6,20H,1-2H3
InChIKey
BRDJPCFGLMKJRU-UHFFFAOYSA-N
Synonyms
1,3-dichloro-7-hydroxy-9,9-dimethylacridin-2(9H)-one
6,8-dichloro-7-hydroxy-9,9-dimethylacridin-2-one
DDAO dye
1,3-dichloro-7-hydroxy-9,9-dimethyl-9H-acridin-2-one
7-Hydroxy-9H-1,3-dichloro-9,9-dimethylacridin-2-one
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.48
TPSA
49.66
LogP / Solubility
WLOGP
4.13
MLOGP
3.65
XLogP3
3.4
Consensus LogP
3.73
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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