CAS RN: 1372527-42-8
Dodoviscin J
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.20250711 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1372527-42-8
- Purity/Analytical Methods: >99.0%
1372527-42-8 / 5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one
Basic Information
CAS
1372527-42-8
Multi CAS
No
Molecular Formula
C22H22O7
Molecular Weight
398.400000
Exact Mass
398.136553
SMILES
CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)OC)O)C
InChI
InChI=1S/C22H22O7/c1-11(2)5-6-12-7-13(8-17(27-3)19(12)25)21-22(28-4)20(26)18-15(24)9-14(23)10-16(18)29-21/h5,7-10,23-25H,6H2,1-4H3
InChIKey
TVJIUFQDDVFOCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
109.15
TPSA
109.36
LogP / Solubility
WLOGP
4.1
MLOGP
3.63
XLogP3
4.7
Consensus LogP
4.14
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.24
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
2.5
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