CAS RN: 289715-28-2
CB 300919
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.20260327 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS289715-28-2
- Purity/Analytical Methods: >99.0%
289715-28-2 / 4-[[7-chloro-3-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide
Basic Information
CAS
289715-28-2
Multi CAS
No
Molecular Formula
C32H34CLN7O2
Molecular Weight
584.100000
Exact Mass
583.246251
InChI
InChI=1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)
InChIKey
LWTCFUSGPRGUBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
22
Fraction Csp3
0.31
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
166.5
TPSA
86.6
LogP / Solubility
WLOGP
3.3
MLOGP
2.95
XLogP3
2.8
Consensus LogP
3.02
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
2-Oxazolamine,4,5-dihydro-4-(1-methylethyl)-,(4S)-(9CI)
- CAS RN: 289721-03-5
- Product Code: SSC-131063
-
-
AriMocloMol Maleic Acid
- CAS RN: 289893-26-1
- Product Code: starshine_CAS289893-26-1
- Purity/Analytical method: >99.0%
-
-
-
