CAS RN: 188577-71-1
N-(4,5-DICHLOROPYRID-2-YL)-PIVALOYLAMIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250619 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN926597
188577-71-1 / N-(4,5-dichloro-2-pyridinyl)-2,2-dimethylpropanamide
Basic Information
CAS
188577-71-1
Multi CAS
No
Molecular Formula
C10H12Cl2N2O
Molecular Weight
247.120000
Exact Mass
246.032668
SMILES
CC(C)(C)C(=O)NC1=NC=C(C(=C1)Cl)Cl
InChI
InChI=1S/C10H12Cl2N2O/c1-10(2,3)9(15)14-8-4-6(11)7(12)5-13-8/h4-5H,1-3H3,(H,13,14,15)
InChIKey
FRMVYHSNVIYKNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.34
TPSA
41.99
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3
Consensus LogP
3.11
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-1.83
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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