CAS RN: 202463-52-3
2,5,2′-Trihydroxy-4-methoxybenzophenone
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.20250302 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS202463-52-3
- Purity/Analytical Methods: >99.0%
202463-52-3 / (2,5-dihydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
Basic Information
CAS
202463-52-3
Multi CAS
No
Molecular Formula
C14H12O5
Molecular Weight
260.240000
Exact Mass
260.068473
SMILES
COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2O)O
InChI
InChI=1S/C14H12O5/c1-19-13-7-11(16)9(6-12(13)17)14(18)8-4-2-3-5-10(8)15/h2-7,15-17H,1H3
InChIKey
XHNFQUHVRWGKJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
67.86
TPSA
86.99
LogP / Solubility
WLOGP
2.04
MLOGP
1.81
XLogP3
2.7
Consensus LogP
2.18
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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