CAS RN: 944390-08-3
5-Chloro-2-acetamidopyridine-4-carboxylic acid
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.20260618 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS944390-08-3
- Purity/Analytical Methods: >99.0%
944390-08-3 / 2-acetamido-5-chloropyridine-4-carboxylic acid
Basic Information
CAS
944390-08-3
Multi CAS
No
Molecular Formula
C8H7CLN2O3
Molecular Weight
214.600000
Exact Mass
214.014520
InChI
InChI=1S/C8H7ClN2O3/c1-4(12)11-7-2-5(8(13)14)6(9)3-10-7/h2-3H,1H3,(H,13,14)(H,10,11,12)
InChIKey
ORAHTDAWLWQGPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.51
TPSA
79.29
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
0.5
Consensus LogP
1.04
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
- CAS RN: 944401-55-2
- Product Code: SSC-209261
-
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
- CAS RN: 944401-57-4
- Product Code: SSC-209263
-
2-AMINO-4-TRIFLUOROPYRIMIDINE-5-BORONIC ACID PINACOL ESTER
- CAS RN: 944401-58-5
- Product Code: SSC-209264
-
4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
- CAS RN: 944401-60-9
- Product Code: SSC-209265
-
4-Methoxy-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyriMidin-2-aMine
- CAS RN: 944401-63-2
- Product Code: SSC-209266
