CAS RN: 1616683-53-4
Dodovisone D
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.20260623 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1616683-53-4
- Purity/Analytical Methods: >99.0%
1616683-53-4 / 5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]-3,6-dimethoxychromen-4-one
Basic Information
CAS
1616683-53-4
Multi CAS
No
Molecular Formula
C22H22O8
Molecular Weight
414.400000
Exact Mass
414.131468
SMILES
CC(=C)C(CC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O)O
InChI
InChI=1S/C22H22O8/c1-10(2)14(24)8-12-7-11(5-6-13(12)23)20-22(29-4)19(27)17-16(30-20)9-15(25)21(28-3)18(17)26/h5-7,9,14,23-26H,1,8H2,2-4H3
InChIKey
UTWDJIVCLUWTAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
4
Molar refractivity
110.54
TPSA
129.59
LogP / Solubility
WLOGP
3.07
MLOGP
2.73
XLogP3
3.7
Consensus LogP
3.17
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
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)
-3.07
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
3
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