CAS RN: 208459-17-0
AcetaMide, 2-aMino-N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-, Monohydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250218 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS208459-17-0
- Purity/Analytical Methods: >99.0%
208459-17-0 / 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide;hydrochloride
Basic Information
CAS
208459-17-0
Multi CAS
No
Molecular Formula
C12H13ClN2O3
Molecular Weight
268.690000
Exact Mass
268.061470
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CN.Cl
InChI
InChI=1S/C12H12N2O3.ClH/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13;/h2-5H,6,13H2,1H3,(H,14,15);1H
InChIKey
DGTMMNCLSKYGIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.15
TPSA
85.33
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
1.42
Consensus LogP
1.37
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Bodipy 8-ChloroMethane
- CAS RN: 208462-25-3
- Product Code: starshine_CAS208462-25-3
- Purity/Analytical method: >99.0%
-
-
-
-
(S)-5-broMo-3-((1-Methylpyrrolidin-2-yl)Methyl)-1H-indole
- CAS RN: 208464-41-9
- Product Code: starshine_CAS208464-41-9
- Purity/Analytical method: >99.0%
