CAS RN: 33620-72-3
1,6-Dihydroxyeriolanolide
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.20260624 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS33620-72-3
- Purity/Analytical Methods: >99.0%
33620-72-3 / (3aS,4S,7aR)-4-hydroxy-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one
Basic Information
CAS
33620-72-3
Multi CAS
Yes
Molecular Formula
C15H22O4
Molecular Weight
266.330000
Exact Mass
266.151809
InChI
InChI=1S/C15H22O4/c1-8(5-4-6-16)12-9(2)7-11-13(14(12)17)10(3)15(18)19-11/h8,11,13-14,16-17H,3-7H2,1-2H3/t8-,11+,13+,14+/m0/s1
InChIKey
ASZIGQFYGXSPCO-UBVLEBKSSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.32
TPSA
66.76
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
0.7
Consensus LogP
1.22
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
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
3.5
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