CAS RN: 884494-95-5
5-METHYLNICOTINOYL CHLORIDE
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.20250629 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS884494-95-5
- Purity/Analytical Methods: >99.0%
884494-95-5 / 5-methylpyridine-3-carbonyl chloride
Basic Information
CAS
884494-95-5
Multi CAS
Yes
Molecular Formula
C7H6CLNO
Molecular Weight
155.580000
Exact Mass
155.013792
InChI
InChI=1S/C7H6ClNO/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3
InChIKey
OSFVFNVXUQRYIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.16
TPSA
29.96
LogP / Solubility
WLOGP
1.77
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.41
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
