CAS RN: 265120-00-1
taiwanhomoflavone A
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS265120-00-1
- Purity/Analytical Methods: >99.0%
265120-00-1 / 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-6-methyl-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one
Basic Information
CAS
265120-00-1
Multi CAS
No
Molecular Formula
C33H24O10
Molecular Weight
580.500000
Exact Mass
580.136947
SMILES
CC1=C(C=C2C(=C1O)C(=O)C=C(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/C33H24O10/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/h4-14,34-36,39H,1-3H3
InChIKey
BZHVWUXJPKVWAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
32
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
4
Molar refractivity
159.33
TPSA
159.8
LogP / Solubility
WLOGP
6.05
MLOGP
5.37
XLogP3
6.1
Consensus LogP
5.84
Log S (ESOL)
-7.47
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.05
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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
-
METHYL 3-(THIOPHEN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE
- CAS RN: 265125-12-0
- Product Code: SSC-124461
-
Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-(2-methylpropyl)-, (4S,4’S)-
- CAS RN: 265127-64-8
- Product Code: starshine_CAS265127-64-8
- Purity/Analytical method: >99.0%
-
Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-phenyl-, (4R,4’R)-
- CAS RN: 265127-65-9
- Product Code: starshine_CAS265127-65-9
- Purity/Analytical method: >99.0%
-
Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro-4-(phenylmethyl)-, (4S,4’S)-
- CAS RN: 265127-66-0
- Product Code: starshine_CAS265127-66-0
- Purity/Analytical method: >99.0%
-
