CAS RN: 779-30-6
3-Acetamidocoumarin
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250904 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTA2972
- Purity/Analytical Methods: >98.0%(GC)
779-30-6 / N-(2-oxochromen-3-yl)acetamide
Basic Information
CAS
779-30-6
Multi CAS
Yes
Molecular Formula
C11H9NO3
Molecular Weight
203.190000
Exact Mass
203.058243
InChI
InChI=1S/C11H9NO3/c1-7(13)12-9-6-8-4-2-3-5-10(8)15-11(9)14/h2-6H,1H3,(H,12,13)
InChIKey
XJYLCCJIDYSFMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.79
TPSA
59.31
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.3
Consensus LogP
1.53
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 69169-71-7 8-Methoxy-4-methylbenzo[g]coumarin molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1862-jpgcontextbwfzdgvyfhjvb3r8mzexndh8aw1hz2uvanblz3xomjgvadc0lzg5mze0ntuymdu0mdyvtte4njiuanbnfdyxyjrmnjy4nzblnweznjdhzwrmmwflotrhywnjzdgxognjowyznmrmzwi1zju0ytfjoty4zwi0nzuyyjq0zda.jpeg)
