CAS RN: 2172617-15-9
YKL 06-061
Product Availability
Choose a grade to view its available package options.
7 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251215 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260225 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251213 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251227 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250709 | 250mg | Out of stock | Inquiry | ||
| Batchno.20251223 | 25mg | Out of stock | Inquiry | ||
| Batchno.20260206 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS2172617-15-9
- Purity/Analytical Methods: >99.0%
2172617-15-9 / 1-cyclobutyl-3-(2,6-dimethylphenyl)-7-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one
Basic Information
CAS
2172617-15-9
Multi CAS
No
Molecular Formula
C30H37N7O2
Molecular Weight
527.700000
Exact Mass
527.300873
SMILES
CC1=C(C(=CC=C1)C)N2CC3=CN=C(N=C3N(C2=O)C4CCC4)NC5=C(C=C(C=C5)N6CCN(CC6)C)OC
InChI
InChI=1S/C30H37N7O2/c1-20-7-5-8-21(2)27(20)36-19-22-18-31-29(33-28(22)37(30(36)38)23-9-6-10-23)32-25-12-11-24(17-26(25)39-4)35-15-13-34(3)14-16-35/h5,7-8,11-12,17-18,23H,6,9-10,13-16,19H2,1-4H3,(H,31,32,33)
InChIKey
GVBAXIVNAHMIGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
155.63
TPSA
77.07
LogP / Solubility
WLOGP
5.1
MLOGP
4.52
XLogP3
4.5
Consensus LogP
4.71
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-7.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5
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