![CAS 2304621-31-4 Propanamide, N,N-dimethyl-2-[[4-(2-methylphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2304621-31-4.gif)
CAS RN: 2304621-31-4
Propanamide, N,N-dimethyl-2-[[4-(2-methylphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]-
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9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260525 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260207 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260116 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260129 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250822 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250611 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250413 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260515 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250120 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2304621-31-4
- Purity/Analytical Methods: >99.0%
2304621-31-4 / N,N-dimethyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanamide
Basic Information
CAS
2304621-31-4
Multi CAS
No
Molecular Formula
C21H21NO4
Molecular Weight
351.400000
Exact Mass
351.147058
SMILES
CC1=CC=CC=C1C2=CC(=O)OC3=C2C=CC(=C3)OC(C)C(=O)N(C)C
InChI
InChI=1S/C21H21NO4/c1-13-7-5-6-8-16(13)18-12-20(23)26-19-11-15(9-10-17(18)19)25-14(2)21(24)22(3)4/h5-12,14H,1-4H3
InChIKey
DBIPGWVTQBAHGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
101.44
TPSA
59.75
LogP / Solubility
WLOGP
3.62
MLOGP
3.21
XLogP3
3.4
Consensus LogP
3.41
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.29
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
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