CAS RN: 1013649-09-6
2,3-Dihydro-6-methylginkgetin
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.20250308 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1013649-09-6
- Purity/Analytical Methods: >99.0%
1013649-09-6 / 5,7-dihydroxy-8-[5-[(2S)-5-hydroxy-7-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one
2,3-dihydro-6-methylginkgetin | CHEMBL1208905 | orb1680527
Basic Information
CAS
1013649-09-6
Multi CAS
No
Molecular Formula
C33H26O10
Molecular Weight
582.600000
Exact Mass
582.152597
SMILES
CC1=C(C=C2C(=C1O)C(=O)C[C@H](O2)C3=CC(=C(C=C3)OC)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)OC
InChI
InChI=1S/C33H26O10/c1-15-25(41-3)14-28-31(32(15)39)23(38)13-27(42-28)17-6-9-24(40-2)19(10-17)29-20(35)11-21(36)30-22(37)12-26(43-33(29)30)16-4-7-18(34)8-5-16/h4-12,14,27,34-36,39H,13H2,1-3H3/t27-/m0/s1
InChIKey
ALCMEGWPPBQUES-MHZLTWQESA-N
Synonyms
2,3-dihydro-6-methylginkgetin
CHEMBL1208905
orb1680527
BDBM50323211
AKOS040763266
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
28
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
4
Molar refractivity
156.61
TPSA
155.89
LogP / Solubility
WLOGP
5.98
MLOGP
5.31
XLogP3
5.8
Consensus LogP
5.7
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.01
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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