![CAS 849727-88-4 (3R)-2,3-Dihydro-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-4H-1-benzopyran-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849727-88-4.gif)
CAS RN: 849727-88-4
(3R)-2,3-Dihydro-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-4H-1-benzopyran-4-one
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.20251010 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS849727-88-4
- Purity/Analytical Methods: >99.0%
849727-88-4 / (3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
Basic Information
CAS
849727-88-4
Multi CAS
Yes
Molecular Formula
C16H14O5
Molecular Weight
286.280000
Exact Mass
286.084124
InChI
InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2/t10-/m1/s1
InChIKey
FIASLUPJXGTCKM-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
74.9
TPSA
86.99
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.9
Consensus LogP
2.37
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 849767-21-1 1-BOC-3-[(1,1-DIMETHYLETHYL)DIMETHYLSILYLOXYMETHYL]-PIPERIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849767-21-1.gif)