CAS RN: 1127499-07-3
4-Bromo-1-(cyclopropylmethyl)pyridin-2(1H)-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.20260105 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1127499-07-3
- Purity/Analytical Methods: >99.0%
1127499-07-3 / 4-bromo-1-(cyclopropylmethyl)pyridin-2-one
4-Bromo-1-(cyclopropylmethyl)pyridin-2(1H)-one | 4-bromo-1-(cyclopropylmethyl)pyridin-2-one | MFCD18374852
Basic Information
CAS
1127499-07-3
Multi CAS
No
Molecular Formula
C9H10BrNO
Molecular Weight
228.090000
Exact Mass
226.994580
SMILES
C1CC1CN2C=CC(=CC2=O)Br
InChI
InChI=1S/C9H10BrNO/c10-8-3-4-11(9(12)5-8)6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKey
VSECUINYDRVDMH-UHFFFAOYSA-N
Synonyms
4-Bromo-1-(cyclopropylmethyl)pyridin-2(1H)-one
4-bromo-1-(cyclopropylmethyl)pyridin-2-one
MFCD18374852
4-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one
SCHEMBL1035189
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.13
TPSA
22
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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