CAS RN: 2448414-48-8
BRD7 inhibitor 1
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.20250804 | 1mg / 10mg / 25mg / 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2448414-48-8
- Purity/Analytical Methods: >99.0%
2448414-48-8 / 4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;dihydrochloride
Basic Information
CAS
2448414-48-8
Multi CAS
No
Molecular Formula
C22H28Cl2N4O3
Molecular Weight
467.400000
Exact Mass
466.153846
SMILES
CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN4CCNCC4)OC.Cl.Cl
InChI
InChI=1S/C22H26N4O3.2ClH/c1-25-13-18(16-4-5-24-12-17(16)22(25)27)15-10-20(28-2)19(21(11-15)29-3)14-26-8-6-23-7-9-26;;/h4-5,10-13,23H,6-9,14H2,1-3H3;2*1H
InChIKey
VUBFYDKFJHVJDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
128.17
TPSA
68.62
LogP / Solubility
WLOGP
2.87
MLOGP
2.55
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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