CAS RN: 1388075-44-2
8′-Oxo-6-hydroxydihydrophaseic acid
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.20250711 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1388075-44-2
- Purity/Analytical Methods: >99.0%
1388075-44-2 / (2E,4E)-5-[(1S,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-(hydroxymethyl)penta-2,4-dienoic acid
Basic Information
CAS
1388075-44-2
Multi CAS
No
Molecular Formula
C15H20O7
Molecular Weight
312.310000
Exact Mass
312.120903
SMILES
C[C@]12C[C@@H](C[C@]([C@@]1(/C=C/C(=C\C(=O)O)/CO)O)(OC2=O)C)O
InChI
InChI=1S/C15H20O7/c1-13-6-10(17)7-14(2,22-12(13)20)15(13,21)4-3-9(8-16)5-11(18)19/h3-5,10,16-17,21H,6-8H2,1-2H3,(H,18,19)
InChIKey
LYUJWBPVDZIFEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
74.74
TPSA
124.29
LogP / Solubility
WLOGP
-0.25
MLOGP
-0.2
XLogP3
-0.7
Consensus LogP
-0.38
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-4.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6.5
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