CAS RN: 1211520-37-4
1-(2-amino-6-chloropyridin-3-yl)ethan-1-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.20260125 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1211520-37-4
- Purity/Analytical Methods: >99.0%
1211520-37-4 / 1-(2-amino-6-chloro-3-pyridinyl)ethanone
1-(2-AMINO-6-CHLOROPYRIDIN-3-YL)ETHAN-1-ONE | 1-(2-AMINO-6-CHLOROPYRIDIN-3-YL)ETHANONE | Ethanone, 1-(2-amino-6-chloro-3-pyridinyl)-
Basic Information
CAS
1211520-37-4
Multi CAS
No
Molecular Formula
C7H7ClN2O
Molecular Weight
170.590000
Exact Mass
170.024691
SMILES
CC(=O)C1=C(N=C(C=C1)Cl)N
InChI
InChI=1S/C7H7ClN2O/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3,(H2,9,10)
InChIKey
ASXJHAKMJDDWJZ-UHFFFAOYSA-N
Synonyms
1-(2-AMINO-6-CHLOROPYRIDIN-3-YL)ETHAN-1-ONE
1-(2-AMINO-6-CHLOROPYRIDIN-3-YL)ETHANONE
Ethanone, 1-(2-amino-6-chloro-3-pyridinyl)-
SCHEMBL20657822
SCHEMBL31139883
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.66
TPSA
55.98
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.52
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-2.68
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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