CAS RN: 911392-36-4
13C15 DON
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.20250326 | 1ml | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS911392-36-4
- Purity/Analytical Methods: >99.0%
911392-36-4 / 3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Basic Information
CAS
911392-36-4
Multi CAS
Yes
Molecular Formula
C15H20O6
Molecular Weight
296.310000
Exact Mass
296.125988
InChI
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1
InChIKey
LINOMUASTDIRTM-YGEUXOLBSA-N
Physical Properties
Melting Point
151 - 153 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
70.36
TPSA
99.52
LogP / Solubility
WLOGP
-0.84
MLOGP
-0.73
XLogP3
-0.7
Consensus LogP
-0.76
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
9.5
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