CAS RN: 1431525-23-3
BMX-IN-1
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251009 | 2mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1431525-23-3
- Purity/Analytical Methods: >99.0%
1431525-23-3 / N-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
Basic Information
CAS
1431525-23-3
Multi CAS
No
Molecular Formula
C29H24N4O4S
Molecular Weight
524.600000
Exact Mass
524.151826
SMILES
CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC=C(C=C5)NS(=O)(=O)C)NC(=O)C=C
InChI
InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
InChIKey
SFMJNHNUOVADRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
26
Fraction Csp3
0.07
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
152.31
TPSA
110.16
LogP / Solubility
WLOGP
5.01
MLOGP
4.45
XLogP3
4.1
Consensus LogP
4.52
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-7.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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