CAS RN: 1381291-36-6
USP7-IN-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.20250808 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1381291-36-6
- Purity/Analytical Methods: >99.0%
1381291-36-6 / 7-chloro-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
Basic Information
CAS
1381291-36-6
Multi CAS
No
Molecular Formula
C23H24ClN3O3
Molecular Weight
425.900000
Exact Mass
425.150619
SMILES
C1CN(CCC1(CN2C=NC3=C(C2=O)C=CC(=C3)Cl)O)C(=O)CCC4=CC=CC=C4
InChI
InChI=1S/C23H24ClN3O3/c24-18-7-8-19-20(14-18)25-16-27(22(19)29)15-23(30)10-12-26(13-11-23)21(28)9-6-17-4-2-1-3-5-17/h1-5,7-8,14,16,30H,6,9-13,15H2
InChIKey
CITWIBXKKHFDFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
116.54
TPSA
75.43
LogP / Solubility
WLOGP
3.04
MLOGP
2.7
XLogP3
2.6
Consensus LogP
2.78
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
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)
-3.16
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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