CAS RN: 5132-80-9

Acridine-9-carbonyl Chloride Hydrochloride

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  • Product code: starshine_CAS5132-80-9
  • Purity/Analytical Methods: >99.0%
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5132-80-9 / acridine-9-carbonyl chloride;hydrochloride

Standard CAS: 5132-80-9 Multi CAS: No

Basic Information

CAS
5132-80-9
Multi CAS
No
Molecular Formula
C14H9CL2NO
Molecular Weight
278.100000
Exact Mass
277.006119
InChI
InChI=1S/C14H8ClNO.ClH/c15-14(17)13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)13;/h1-8H;1H
InChIKey
KUKONHWWHFEDCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.68
TPSA
29.96

LogP / Solubility

WLOGP
4.19
MLOGP
3.7
XLogP3
4.19
Consensus LogP
4.03
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-1.44

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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