CAS RN: 22012-98-2
CRYPTOMERINB
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.20250210 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS22012-98-2
- Purity/Analytical Methods: >99.0%
22012-98-2 / 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Basic Information
CAS
22012-98-2
Multi CAS
No
Molecular Formula
C32H22O10
Molecular Weight
566.500000
Exact Mass
566.121297
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
InChI
InChI=1S/C32H22O10/c1-38-19-7-3-16(4-8-19)25-14-23(36)30-27(42-25)15-28(39-2)32(31(30)37)40-20-9-5-17(6-10-20)24-13-22(35)29-21(34)11-18(33)12-26(29)41-24/h3-15,33-34,37H,1-2H3
InChIKey
XLXOFHHXAZAIHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
3
Molar refractivity
154.01
TPSA
148.8
LogP / Solubility
WLOGP
6.16
MLOGP
5.46
XLogP3
5.9
Consensus LogP
5.84
Log S (ESOL)
-7.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.17
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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