CAS RN: 451478-47-0
10-Hydroxydihydroperaksine
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.20250212 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS451478-47-0
- Purity/Analytical Methods: >99.0%
451478-47-0 / (1S,12S,13R,14S,15R,16S)-13,15-bis(hydroxymethyl)-16-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
Basic Information
CAS
451478-47-0
Multi CAS
Yes
Molecular Formula
C19H24N2O3
Molecular Weight
328.400000
Exact Mass
328.178693
InChI
InChI=1S/C19H24N2O3/c1-9-14(7-22)11-5-18-19-13(6-17(21(9)18)15(11)8-23)12-4-10(24)2-3-16(12)20-19/h2-4,9,11,14-15,17-18,20,22-24H,5-8H2,1H3/t9-,11-,14-,15+,17-,18-/m0/s1
InChIKey
LCWCFXWKNADLOU-VNKAPAPTSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
90.76
TPSA
79.72
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
1.4
Consensus LogP
1.59
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46
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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