CAS RN: 15527-80-7
PERAKSINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251111 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS15527-80-7
- Purity/Analytical Methods: >99.0%
15527-80-7 / 21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-17-ol
Basic Information
CAS
15527-80-7
Multi CAS
No
Molecular Formula
C19H22N2O2
Molecular Weight
310.400000
Exact Mass
310.168128
SMILES
CC1C2COC(C3C2CC4N1C3CC5=C4NC6=CC=CC=C56)O
InChI
InChI=1S/C19H22N2O2/c1-9-13-8-23-19(22)17-11(13)6-16-18-12(7-15(17)21(9)16)10-4-2-3-5-14(10)20-18/h2-5,9,11,13,15-17,19-20,22H,6-8H2,1H3
InChIKey
LVOPRJWLXUCHRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.58
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.88
TPSA
48.49
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10
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