CAS RN: 486430-94-8
Cyclocalopin A
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.20250526 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS486430-94-8
- Purity/Analytical Methods: >99.0%
486430-94-8 / (2R,3S,3aR,4S,6'S,7aS)-2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
Basic Information
CAS
486430-94-8
Multi CAS
Yes
Molecular Formula
C15H20O6
Molecular Weight
296.310000
Exact Mass
296.125988
InChI
InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3/t8-,9+,11+,12-,14-,15+/m1/s1
InChIKey
OGOHSCJKRSLFLO-UOMAJYNRSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.73
H-bond acceptors
6
H-bond donors
2
Molar refractivity
70.93
TPSA
93.06
LogP / Solubility
WLOGP
0.17
MLOGP
0.16
XLogP3
0.5
Consensus LogP
0.28
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.73
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)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6.5
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