CAS RN: 52591-10-3
Iriflophene
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS52591-10-3
- Purity/Analytical Methods: >99.0%
52591-10-3 / (4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Basic Information
CAS
52591-10-3
Multi CAS
No
Molecular Formula
C13H10O5
Molecular Weight
246.210000
Exact Mass
246.052823
InChI
InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
InChIKey
AOJWDTJDEGSHOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
62.98
TPSA
97.99
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
2.4
Consensus LogP
1.89
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
5-CHLORO-2,3-DIPHENYL-1H-INDOLE
- CAS RN: 52598-02-4
- Product Code: starshine_CAS52598-02-4
- Purity/Analytical method: >99.0%
-
2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
- CAS RN: 52598-24-0
- Product Code: starshine_CAS52598-24-0
- Purity/Analytical method: >99.0%
-
5-Cyano-2,6-dihydroxy-nicotinic acid ethyl ester
- CAS RN: 52600-50-7
- Product Code: SSC-159715
-
ethyl 5-cyano-1,6-dihydro-2-methyl-6-oxo-3-pyridinecarboxylate
- CAS RN: 52600-52-9
- Product Code: SSC-159716
-
5-ACETYL-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
- CAS RN: 52600-53-0
- Product Code: SSC-159717
-
1-Azabicyclo[2.2.2]octane-2-carboxylic acid hydrochloride
- CAS RN: 52601-23-7
- Product Code: SSC-159718
![CAS 52598-24-0 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl dihydrogen phosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52598-24-0.gif)
![CAS 52601-23-7 1-Azabicyclo[2.2.2]octane-2-carboxylic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52601-23-7.gif)