CAS RN: 99765-49-8
bis(6-methyl-2-pyridyl)ketone
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.20250820 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS99765-49-8
- Purity/Analytical Methods: >99.0%
99765-49-8 / bis(6-methyl-2-pyridinyl)methanone
Basic Information
CAS
99765-49-8
Multi CAS
No
Molecular Formula
C13H12N2O
Molecular Weight
212.250000
Exact Mass
212.094963
InChI
InChI=1S/C13H12N2O/c1-9-5-3-7-11(14-9)13(16)12-8-4-6-10(2)15-12/h3-8H,1-2H3
InChIKey
HZOBODSAPPCATO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.38
TPSA
42.85
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
