CAS RN: 1416373-37-9
(4,6-dichloropyrimidin-5-yl)(2-methylpyridin-3-yl)methanone
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260329 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND926579
1416373-37-9 / (4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone
Basic Information
CAS
1416373-37-9
Multi CAS
No
Molecular Formula
C11H7Cl2N3O
Molecular Weight
268.100000
Exact Mass
266.996617
SMILES
CC1=C(C=CC=N1)C(=O)C2=C(N=CN=C2Cl)Cl
InChI
InChI=1S/C11H7Cl2N3O/c1-6-7(3-2-4-14-6)9(17)8-10(12)15-5-16-11(8)13/h2-5H,1H3
InChIKey
MOQUCAPOGBXEGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
64.46
TPSA
55.74
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
2.8
Consensus LogP
2.64
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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