CAS RN: 53750-66-6
4-Chloro-pyridine-2-carbonyl chloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20260128 |
100mg / 250mg / 1g / 5g |
Out of stock |
5-7 business days | Inquiry |
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Product code:
starshine_CAS53750-66-6
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Purity/Analytical Methods:
>99.0%
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53750-66-6 / 4-chloropyridine-2-carbonyl chloride
Standard CAS: 53750-66-6
Multi CAS: Yes
Basic Information
CAS
53750-66-6
Multi CAS
Yes
Molecular Formula
C6H3CL2NO
Molecular Weight
176.000000
Exact Mass
174.959169
InChI
InChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-4)6(8)10/h1-3H
InChIKey
FYBNFLRGZHGUDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.43
TPSA
29.96
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.29
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