CAS RN: 212201-12-2
“5,7-Dihydroxy-3-(4-hydroxy-3,5-diMethoxybenzyl)-6,8-diMethylchroMan-4-one”
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260409 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS212201-12-2
- Purity/Analytical Methods: >99.0%
212201-12-2 / 5,7-dihydroxy-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
Basic Information
CAS
212201-12-2
Multi CAS
No
Molecular Formula
C20H22O7
Molecular Weight
374.400000
Exact Mass
374.136553
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C(CO2)CC3=CC(=C(C(=C3)OC)O)OC)C)O
InChI
InChI=1S/C20H22O7/c1-9-16(21)10(2)20-15(17(9)22)18(23)12(8-27-20)5-11-6-13(25-3)19(24)14(7-11)26-4/h6-7,12,21-22,24H,5,8H2,1-4H3
InChIKey
JYKPEDLHLKPUKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
97.48
TPSA
105.45
LogP / Solubility
WLOGP
2.87
MLOGP
2.55
XLogP3
3.5
Consensus LogP
2.97
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 212210-87-2 DICHLORO[(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(1S,2S)-(-)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/212210-87-2.gif)
