CAS RN: 70938-59-9
Comanthosid 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.20260530 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS70938-59-9
- Purity/Analytical Methods: >99.0%
70938-59-9 / methyl 3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
Basic Information
CAS
70938-59-9
Multi CAS
Yes
Molecular Formula
C24H24O12
Molecular Weight
504.400000
Exact Mass
504.126776
InChI
InChI=1S/C24H24O12/c1-31-11-6-4-10(5-7-11)13-8-12(25)16-14(34-13)9-15(21(32-2)17(16)26)35-24-20(29)18(27)19(28)22(36-24)23(30)33-3/h4-9,18-20,22,24,26-29H,1-3H3
InChIKey
BWUMQHHQRFRBKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
4
Molar refractivity
122.01
TPSA
174.35
LogP / Solubility
WLOGP
0.54
MLOGP
0.51
XLogP3
1.7
Consensus LogP
0.92
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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