CAS RN: 91856-16-5
2′-HYDROXY-3,4,6′-TRIMETHOXYCHALCONE
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250907 | 5mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260414 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250913 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260525 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250311 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251020 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250413 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS91856-16-5
- Purity/Analytical Methods: >99.0%
91856-16-5 / 1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
Basic Information
CAS
91856-16-5
Multi CAS
Yes
Molecular Formula
C18H18O5
Molecular Weight
314.300000
Exact Mass
314.115424
InChI
InChI=1S/C18H18O5/c1-21-14-11-15(22-2)18(23-3)17(20)16(14)13(19)10-9-12-7-5-4-6-8-12/h4-11,20H,1-3H3/b10-9+
InChIKey
OCGIXADHTXAPKN-MDZDMXLPSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.57
TPSA
64.99
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
3.8
Consensus LogP
3.35
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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