CAS RN: 1009583-20-3
BMS-816336
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.20250922 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1009583-20-3
- Purity/Analytical Methods: >99.0%
1009583-20-3 / 1-(3-hydroxyazetidin-1-yl)-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone
BMS-816336 | HLF8J24L87 | RefChem:120745
Basic Information
CAS
1009583-20-3
Multi CAS
Yes
Molecular Formula
C21H27NO3
Molecular Weight
341.400000
Exact Mass
341.199094
SMILES
C1C2CC3CC(C2O)CC1C3(CC(=O)N4CC(C4)O)C5=CC=CC=C5
InChI
InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2
InChIKey
OAAZMUGLOXGVNH-UHFFFAOYSA-N
Synonyms
BMS-816336
HLF8J24L87
RefChem:120745
(Rac)-BMS-816336
(R)-BMS-816336
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
93.76
TPSA
60.77
LogP / Solubility
WLOGP
1.94
MLOGP
1.73
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8
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