CAS RN: 1205687-49-5
4′-O-Methylatalantoflavone
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS1205687-49-5
- Purity/Analytical Methods: >99.0%
1205687-49-5 / 5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
4'-O-Methylatalantoflavone | CHEMBL5570464 | orb1680558
Basic Information
CAS
1205687-49-5
Multi CAS
No
Molecular Formula
C21H18O5
Molecular Weight
350.400000
Exact Mass
350.115424
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)OC)O)C
InChI
InChI=1S/C21H18O5/c1-21(2)9-8-14-18(26-21)11-16(23)19-15(22)10-17(25-20(14)19)12-4-6-13(24-3)7-5-12/h4-11,23H,1-3H3
InChIKey
ZBCMZXUJUABTJX-UHFFFAOYSA-N
Synonyms
4'-O-Methylatalantoflavone
CHEMBL5570464
orb1680558
AKOS040763238
F94032
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
99.88
TPSA
68.9
LogP / Solubility
WLOGP
4.36
MLOGP
3.85
XLogP3
4.3
Consensus LogP
4.17
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
N-Biotinyl-NH-(PEG)2-CO2H·nDIPEA
- CAS RN: 1205744-09-7
- Product Code: starshine_CAS1205744-09-7
- Purity/Analytical method: >99.0%
-
6-Iodo-iMidazo[1,2-a]pyridine hydrochloride
- CAS RN: 1205744-55-3
- Product Code: SSC-021589
-
tert-butyl 4-(2-aminoethyl)azepane-1-carboxylate
- CAS RN: 1205748-73-7
- Product Code: SSC-021590
-
tert-butyl 3-formyl-3-methylazetidine-1-carboxylate(WXC07925)
- CAS RN: 1205748-94-2
- Product Code: SSC-021593
-
Methyl 3-MethylMorpholine-3-carboxylate HCl
- CAS RN: 1205749-06-9
- Product Code: starshine_CAS1205749-06-9
- Purity/Analytical method: >99.0%
-
methyl 4-ethyl-4-piperidinecarboxylate hydrochloride
- CAS RN: 1205749-08-1
- Product Code: SSC-021594
![CAS 1205744-55-3 6-Iodo-iMidazo[1,2-a]pyridine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1205744-55-3.gif)
