CAS RN: 1374328-47-8
15,16-Epoxy-15-ethoxy-6beta,13-dihydroxylabd-8-en-7-one
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.20250817 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1374328-47-8
- Purity/Analytical Methods: >99.0%
1374328-47-8 / (1S,4aS,8aS)-4-[2-(5-ethoxy-3-hydroxyoxolan-3-yl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
Basic Information
CAS
1374328-47-8
Multi CAS
No
Molecular Formula
C22H36O5
Molecular Weight
380.500000
Exact Mass
380.256274
SMILES
CCOC1CC(CO1)(CCC2=C(C(=O)[C@H]([C@@H]3[C@@]2(CCCC3(C)C)C)O)C)O
InChI
InChI=1S/C22H36O5/c1-6-26-16-12-22(25,13-27-16)11-8-15-14(2)17(23)18(24)19-20(3,4)9-7-10-21(15,19)5/h16,18-19,24-25H,6-13H2,1-5H3/t16?,18-,19+,21-,22?/m1/s1
InChIKey
UYEGQRIXYLIQFR-GHEHZWTJSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
103.11
TPSA
75.99
LogP / Solubility
WLOGP
3.37
MLOGP
2.99
XLogP3
3.3
Consensus LogP
3.22
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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