![CAS 885699-88-7 4-(2-chloro-6-((4-(cyclopropylmethyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885699-88-7.gif)
CAS RN: 885699-88-7
4-(2-chloro-6-((4-(cyclopropylmethyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine
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.20250130 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885699-88-7
- Purity/Analytical Methods: >99.0%
885699-88-7 / 4-[2-chloro-6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
Basic Information
CAS
885699-88-7
Multi CAS
No
Molecular Formula
C19H26CLN5OS
Molecular Weight
408.000000
Exact Mass
407.154659
InChI
InChI=1S/C19H26ClN5OS/c20-19-21-16-11-15(13-24-5-3-23(4-6-24)12-14-1-2-14)27-17(16)18(22-19)25-7-9-26-10-8-25/h11,14H,1-10,12-13H2
InChIKey
OFPYYFFQXGWGIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
9
Fraction Csp3
0.68
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
109.9
TPSA
44.73
LogP / Solubility
WLOGP
2.71
MLOGP
2.41
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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