CAS RN: 103441-69-6
6-aMino-3,4-dihydro-2H-chroMen-2-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS103441-69-6
- Purity/Analytical Methods: >99.0%
103441-69-6 / 6-amino-2,3-dihydrochromen-4-one
DTXSID60602120 | 6-Amino-2,3-dihydro-4H-1-benzopyran-4-one | RefChem:307063
Basic Information
CAS
103441-69-6
Multi CAS
No
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
SMILES
C1COC2=C(C1=O)C=C(C=C2)N
InChI
InChI=1S/C9H9NO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4,10H2
InChIKey
BBARYAQCKDIKIX-UHFFFAOYSA-N
Synonyms
DTXSID60602120
6-Amino-2,3-dihydro-4H-1-benzopyran-4-one
RefChem:307063
DTXCID00552877
6-aminochroman-4-one
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.3
TPSA
52.32
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
0.7
Consensus LogP
1
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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