CAS RN: 486430-93-7
O-Acetylcyclocalopin 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.20260328 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS486430-93-7
- Purity/Analytical Methods: >99.0%
486430-93-7 / [(1'S,2R,3S,3aR,4S,7aS)-2-hydroxy-2,3',4-trimethyl-2',7-dioxospiro[3a,4,5,7a-tetrahydrofuro[2,3-c]pyran-3,6'-cyclohex-3-ene]-1'-yl] acetate
Basic Information
CAS
486430-93-7
Multi CAS
Yes
Molecular Formula
C17H22O7
Molecular Weight
338.400000
Exact Mass
338.136553
InChI
InChI=1S/C17H22O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11,13-14,21H,6-7H2,1-4H3/t9-,11+,13+,14-,16-,17+/m1/s1
InChIKey
RFOIMKJJHPMORA-CNORLRFSSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
1
Molar refractivity
80.48
TPSA
99.13
LogP / Solubility
WLOGP
0.74
MLOGP
0.67
XLogP3
1.1
Consensus LogP
0.84
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-4.26
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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