CAS RN: 20516-23-8
(R)-Peucedanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250516 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS20516-23-8
- Purity/Analytical Methods: >99.0%
20516-23-8 / 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one
Basic Information
CAS
20516-23-8
Multi CAS
No
Molecular Formula
C14H16O5
Molecular Weight
264.270000
Exact Mass
264.099774
SMILES
CC(C)([C@@H](CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O)O
InChI
InChI=1S/C14H16O5/c1-14(2,18)12(16)6-9-5-8-3-4-13(17)19-11(8)7-10(9)15/h3-5,7,12,15-16,18H,6H2,1-2H3/t12-/m1/s1
InChIKey
WRTWKAQFZYXAEJ-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
70.16
TPSA
90.9
LogP / Solubility
WLOGP
1.17
MLOGP
1.04
XLogP3
1.1
Consensus LogP
1.1
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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