CAS RN: 1226892-20-1
Norpterosin B
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.20251227 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1226892-20-1
- Purity/Analytical Methods: >99.0%
1226892-20-1 / (2R)-6-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Basic Information
CAS
1226892-20-1
Multi CAS
No
Molecular Formula
C13H16O2
Molecular Weight
204.260000
Exact Mass
204.115030
SMILES
C[C@@H]1CC2=C(C1=O)C(=C(C(=C2)C)CO)C
InChI
InChI=1S/C13H16O2/c1-7-4-10-5-8(2)13(15)12(10)9(3)11(7)6-14/h4,8,14H,5-6H2,1-3H3/t8-/m1/s1
InChIKey
FUOYIVLWRSGBHK-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.04
TPSA
37.3
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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