CAS RN: 162616-73-1
Sorokinianin
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.20260217 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS162616-73-1
- Purity/Analytical Methods: >99.0%
162616-73-1 / (3R,5S)-3-hydroxy-5-[(1R,4R,5S,6R,8S)-8-(hydroxymethyl)-1-methyl-7-methylidene-4-propan-2-yl-6-bicyclo[3.2.1]octanyl]oxolan-2-one
Basic Information
CAS
162616-73-1
Multi CAS
No
Molecular Formula
C18H28O4
Molecular Weight
308.400000
Exact Mass
308.198759
SMILES
CC(C)[C@H]1CC[C@@]2([C@H]([C@H]1[C@H](C2=C)[C@@H]3C[C@H](C(=O)O3)O)CO)C
InChI
InChI=1S/C18H28O4/c1-9(2)11-5-6-18(4)10(3)15(16(11)12(18)8-19)14-7-13(20)17(21)22-14/h9,11-16,19-20H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-,16+,18+/m1/s1
InChIKey
PTGFDIFCKGMAJK-BCHHIPDFSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.87
TPSA
66.76
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
2.9
Consensus LogP
2.32
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8
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