CAS RN: 193884-51-4
9-Acridinecarbothioic acid, 9,10-dihydro-10-methyl-, S-(4-chlorophenyl) ester
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.20260130 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS193884-51-4
- Purity/Analytical Methods: >99.0%
193884-51-4 / S-(4-chlorophenyl) 10-methyl-9H-acridine-9-carbothioate
Basic Information
CAS
193884-51-4
Multi CAS
No
Molecular Formula
C21H16ClNOS
Molecular Weight
365.900000
Exact Mass
365.064113
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C31)C(=O)SC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H16ClNOS/c1-23-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)23)21(24)25-15-12-10-14(22)11-13-15/h2-13,20H,1H3
InChIKey
BLLSHILJEIIPRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
105.11
TPSA
20.31
LogP / Solubility
WLOGP
5.87
MLOGP
5.19
XLogP3
5.9
Consensus LogP
5.65
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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