CAS RN: 113728-13-5
H-GLY-AMC HBR
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250807 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS113728-13-5
- Purity/Analytical Methods: >99.0%
113728-13-5 / 2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide;hydrobromide
2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)acetamide hydrobromide | H-GLY-AMC HBR | Glycine 7-amido-4-methylcoumarin hydrobromide
Basic Information
CAS
113728-13-5
Multi CAS
Yes
Molecular Formula
C12H13BrN2O3
Molecular Weight
313.150000
Exact Mass
312.010950
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CN.Br
InChI
InChI=1S/C12H12N2O3.BrH/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
NNHMGPIGAMTPDU-UHFFFAOYSA-N
Synonyms
2-Amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)acetamide hydrobromide
H-GLY-AMC HBR
Glycine 7-amido-4-methylcoumarin hydrobromide
Acetamide, 2-amino-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1)
MFCD00058452
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
75.23
TPSA
85.33
LogP / Solubility
WLOGP
1.58
MLOGP
1.4
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
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
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