CAS RN: 1093207-99-8
3-Hydroxy-4,15-dir-1(5)-xanthen-12,8-olide
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.20250413 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1093207-99-8
- Purity/Analytical Methods: >99.0%
1093207-99-8 / (3R,3aR,7S,8aS)-6-(2-hydroxyethyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide | 3-Hydroxy-4,15-dir-1(5)-xanthen-12,8-olide | 4,15-Dinor-3-hydroxy-1(5)-xanthen-12,8alpha-olide
Basic Information
CAS
1093207-99-8
Multi CAS
Yes
Molecular Formula
C13H20O3
Molecular Weight
224.300000
Exact Mass
224.141245
SMILES
C[C@H]1C[C@H]2[C@H](CC=C1CCO)[C@H](C(=O)O2)C
InChI
InChI=1S/C13H20O3/c1-8-7-12-11(9(2)13(15)16-12)4-3-10(8)5-6-14/h3,8-9,11-12,14H,4-7H2,1-2H3/t8-,9+,11+,12-/m0/s1
InChIKey
MOXJTUNOIGNZKZ-SPFNVWMYSA-N
Synonyms
3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide
3-Hydroxy-4,15-dir-1(5)-xanthen-12,8-olide
4,15-Dinor-3-hydroxy-1(5)-xanthen-12,8alpha-olide
(3R,3aR,7S,8aS)-6-(2-hydroxyethyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
orb1683604
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.72
TPSA
46.53
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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