CAS RN: 1372527-25-7
Dodoviscin A
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250908 | 1mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1372527-25-7
- Purity/Analytical Methods: >99.0%
1372527-25-7 / 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-5-(4-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxychromen-4-one
Basic Information
CAS
1372527-25-7
Multi CAS
No
Molecular Formula
C27H32O9
Molecular Weight
500.500000
Exact Mass
500.204633
SMILES
CC(CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)CC(C(=C)C)O)O)CO
InChI
InChI=1S/C27H32O9/c1-13(2)18(29)10-16-9-17(8-15(22(16)31)7-6-14(3)12-28)25-27(35-5)24(33)21-20(36-25)11-19(30)26(34-4)23(21)32/h8-9,11,14,18,28-32H,1,6-7,10,12H2,2-5H3
InChIKey
JOFIZXLDARFSIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.37
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
5
Molar refractivity
135.11
TPSA
149.82
LogP / Solubility
WLOGP
3.63
MLOGP
3.23
XLogP3
4.4
Consensus LogP
3.75
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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