CAS RN: 1393922-01-4
millepachine
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250306 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250128 | 10mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250219 | 1g | Out of stock | Inquiry | ||
| Batchno.20250709 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250104 | 250mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251010 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1393922-01-4
- Purity/Analytical Methods: >99.0%
1393922-01-4 / (E)-1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Basic Information
CAS
1393922-01-4
Multi CAS
No
Molecular Formula
C22H22O4
Molecular Weight
350.400000
Exact Mass
350.151809
SMILES
CC1(C=CC2=C(C=CC(=C2O1)C(=O)/C=C/C3=CC=C(C=C3)OC)OC)C
InChI
InChI=1S/C22H22O4/c1-22(2)14-13-18-20(25-4)12-10-17(21(18)26-22)19(23)11-7-15-5-8-16(24-3)9-6-15/h5-14H,1-4H3/b11-7+
InChIKey
GZUOKKIDYHPTAZ-YRNVUSSQSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
103.09
TPSA
44.76
LogP / Solubility
WLOGP
4.78
MLOGP
4.23
XLogP3
4.6
Consensus LogP
4.54
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46
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
2.5
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