CAS RN: 1616683-50-1
Dodovisone 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.20250616 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1616683-50-1
- Purity/Analytical Methods: >99.0%
1616683-50-1 / 5,7-dihydroxy-2-[3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-3,6-dimethoxychromen-4-one
Basic Information
CAS
1616683-50-1
Multi CAS
No
Molecular Formula
C27H30O8
Molecular Weight
482.500000
Exact Mass
482.194068
SMILES
CC(=CCC1=CC(=CC2=C1OC(C(C2)O)(C)C)C3=C(C(=O)C4=C(O3)C=C(C(=C4O)OC)O)OC)C
InChI
InChI=1S/C27H30O8/c1-13(2)7-8-14-9-15(10-16-11-19(29)27(3,4)35-23(14)16)24-26(33-6)22(31)20-18(34-24)12-17(28)25(32-5)21(20)30/h7,9-10,12,19,28-30H,8,11H2,1-6H3
InChIKey
ZHPHZLCBPQPVKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
16
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
131.91
TPSA
118.59
LogP / Solubility
WLOGP
4.47
MLOGP
3.97
XLogP3
5.1
Consensus LogP
4.51
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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