CAS RN: 6526-92-7
9-chloro-2,7-diMethoxyacridine
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS6526-92-7
- Purity/Analytical Methods: >99.0%
6526-92-7 / 9-chloro-2,7-dimethoxyacridine
Basic Information
CAS
6526-92-7
Multi CAS
No
Molecular Formula
C15H12CLNO2
Molecular Weight
273.710000
Exact Mass
273.055656
InChI
InChI=1S/C15H12ClNO2/c1-18-9-3-5-13-11(7-9)15(16)12-8-10(19-2)4-6-14(12)17-13/h3-8H,1-2H3
InChIKey
BXRKDNPFLFXVAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
77.36
TPSA
31.35
LogP / Solubility
WLOGP
4.06
MLOGP
3.58
XLogP3
4.1
Consensus LogP
3.91
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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