CAS RN: 64890-70-6
trans-Norpterosin C
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260107 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS64890-70-6
- Purity/Analytical Methods: >99.0%
64890-70-6 / (2S,3S)-3-hydroxy-6-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Basic Information
CAS
64890-70-6
Multi CAS
Yes
Molecular Formula
C13H16O3
Molecular Weight
220.260000
Exact Mass
220.109944
InChI
InChI=1S/C13H16O3/c1-6-4-9-11(7(2)10(6)5-14)13(16)8(3)12(9)15/h4,8,12,14-15H,5H2,1-3H3/t8-,12-/m0/s1
InChIKey
XGHDADRUKBUYPP-UFBFGSQYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.29
TPSA
57.53
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1
Consensus LogP
1.37
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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