CAS RN: 449811-29-4
6-CHLORO-4-(METHYLAMINO)NICOTINALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250309 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS449811-29-4
- Purity/Analytical Methods: >99.0%
449811-29-4 / 6-chloro-4-(methylamino)pyridine-3-carbaldehyde
Basic Information
CAS
449811-29-4
Multi CAS
No
Molecular Formula
C7H7CLN2O
Molecular Weight
170.590000
Exact Mass
170.024691
InChI
InChI=1S/C7H7ClN2O/c1-9-6-2-7(8)10-3-5(6)4-11/h2-4H,1H3,(H,9,10)
InChIKey
KBFYJXMMAXTGQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.18
TPSA
41.99
LogP / Solubility
WLOGP
1.59
MLOGP
1.39
XLogP3
1.8
Consensus LogP
1.59
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.63
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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