CAS RN: 591778-70-0
CP-640186 (hydrochloride)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251001 | 1mg / 2mg / 5mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS591778-70-0
- Purity/Analytical Methods: >99.0%
591778-70-0 / [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
Basic Information
CAS
591778-70-0
Multi CAS
Yes
Molecular Formula
C30H36CLN3O3
Molecular Weight
522.100000
Exact Mass
521.244520
InChI
InChI=1S/C30H35N3O3.ClH/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28;/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2;1H/t24-;/m1./s1
InChIKey
DUBNXJIOBFRASV-GJFSDDNBSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
14
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
149.32
TPSA
53.09
LogP / Solubility
WLOGP
4.59
MLOGP
4.08
XLogP3
4.59
Consensus LogP
4.42
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
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)
-2.65
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
6
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