CAS RN: 29372-29-0
4-METHYLPYRIDINE-D7
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.20260425 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS29372-29-0
- Purity/Analytical Methods: >99.0%
29372-29-0 / 4-methylpyridine
Basic Information
CAS
29372-29-0
Multi CAS
Yes
Molecular Formula
C6H7N
Molecular Weight
93.130000
Exact Mass
93.057849
InChI
InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey
FKNQCJSGGFJEIZ-UHFFFAOYSA-N
Physical Properties
Melting Point
38.5 °F (NTP, 1992)
3.68 °C
3.7 °C
Boiling Point
292.8 °F at 760 mmHg (NTP, 1992)
145 °C at 760 mm Hg
144-145 °C
Density
0.9548 at 68 °F (NTP, 1992) - Less dense than water; will float
0.9548 g/cu cm at 20 °C
Relative density (water = 1): 0.96
Physical Description
4-methyl pyridine is a colorless moderately volatile liquid. (NTP, 1992)
Liquid
Colorless liquid with an obnoxious, sweetish odor; [HSDB]
COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
28.97
TPSA
12.89
LogP / Solubility
WLOGP
1.39
MLOGP
1.21
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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