CAS RN: 1794793-32-0
3-AMino-6-broMo-4-(2-chlorophenyl)-2(1H)-quinolinone-d5
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.20250615 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1794793-32-0
- Purity/Analytical Methods: >99.0%
1794793-32-0 / 3-amino-6-bromo-4-(2-chloro-3,4,5,6-tetradeuteriophenyl)-8-deuterio-1H-quinolin-2-one
Basic Information
CAS
1794793-32-0
Multi CAS
No
Molecular Formula
C15H10BrClN2O
Molecular Weight
354.640000
Exact Mass
352.997890
SMILES
[2H]C1=CC(=CC2=C1NC(=O)C(=C2C3=C(C(=C(C(=C3Cl)[2H])[2H])[2H])[2H])N)Br
InChI
InChI=1S/C15H10BrClN2O/c16-8-5-6-12-10(7-8)13(14(18)15(20)19-12)9-3-1-2-4-11(9)17/h1-7H,18H2,(H,19,20)/i1D,2D,3D,4D,6D
InChIKey
RXPHLIAWRAZJSH-SNOLXCFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
87.13
TPSA
58.88
LogP / Solubility
WLOGP
4.19
MLOGP
3.71
XLogP3
3.4
Consensus LogP
3.77
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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