CAS RN: 62499-70-1
Isofutoquinol 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.20251229 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS62499-70-1
- Purity/Analytical Methods: >99.0%
62499-70-1 / (2R,6S,7S,8R)-7-(1,3-benzodioxol-5-yl)-2,3-dimethoxy-8-methyl-6-prop-2-enyltricyclo[4.2.0.02,8]oct-3-en-5-one
Basic Information
CAS
62499-70-1
Multi CAS
Yes
Molecular Formula
C21H22O5
Molecular Weight
354.400000
Exact Mass
354.146724
InChI
InChI=1S/C21H22O5/c1-5-8-20-15(22)10-16(23-3)21(24-4)18(20)19(21,2)17(20)12-6-7-13-14(9-12)26-11-25-13/h5-7,9-10,17-18H,1,8,11H2,2-4H3/t17-,18?,19+,20-,21+/m0/s1
InChIKey
LYOBQEYDVDTMSQ-ZQEFZMAUSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
93.99
TPSA
53.99
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
2.5
Consensus LogP
2.85
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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