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CAS RN: 1396769-20-2
2′-Hydroxyneophellamuretin
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.20250429 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1396769-20-2
- Purity/Analytical Methods: >99.0%
1396769-20-2 / (2R,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Basic Information
CAS
1396769-20-2
Multi CAS
No
Molecular Formula
C20H20O7
Molecular Weight
372.400000
Exact Mass
372.120903
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)[C@@H]([C@H](O2)C3=C(C=C(C=C3)O)O)O)C
InChI
InChI=1S/C20H20O7/c1-9(2)3-5-11-14(23)8-15(24)16-17(25)18(26)20(27-19(11)16)12-6-4-10(21)7-13(12)22/h3-4,6-8,18,20-24,26H,5H2,1-2H3/t18-,20+/m0/s1
InChIKey
ZSCDUCZBAJYISP-AZUAARDMSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
5
Molar refractivity
96.38
TPSA
127.45
LogP / Solubility
WLOGP
2.7
MLOGP
2.39
XLogP3
3.4
Consensus LogP
2.83
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1396777-41-5 8-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1396777-41-5(2).gif)
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![CAS 1396777-75-5 Spiro[cyclopropane-1,4′(1’H)-isoquinolin]-1′-one, 6′-bromo-2′,3′-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1396777-75-5(2).gif)
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