![CAS 1883672-48-7 tert-butyl 4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883672-48-7.gif)
CAS RN: 1883672-48-7
tert-butyl 4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
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.20250807 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1883672-48-7
- Purity/Analytical Methods: >99.0%
1883672-48-7 / tert-butyl 4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylate;hydrochloride
Basic Information
CAS
1883672-48-7
Multi CAS
No
Molecular Formula
C29H38ClN7O4
Molecular Weight
584.100000
Exact Mass
583.267380
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C5CCCC5)C(=O)C.Cl
InChI
InChI=1S/C29H37N7O4.ClH/c1-18-22-17-31-27(33-25(22)36(20-8-6-7-9-20)26(38)24(18)19(2)37)32-23-11-10-21(16-30-23)34-12-14-35(15-13-34)28(39)40-29(3,4)5;/h10-11,16-17,20H,6-9,12-15H2,1-5H3,(H,30,31,32,33);1H
InChIKey
DFSWFKPSJUSRRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
16
Fraction Csp3
0.52
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
160.83
TPSA
122.55
LogP / Solubility
WLOGP
5.04
MLOGP
4.48
XLogP3
5.04
Consensus LogP
4.85
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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