CAS RN: 45867-11-6
2-AMINO-5-CHLOROPYRIMIDINE-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.20250118 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS45867-11-6
- Purity/Analytical Methods: >99.0%
45867-11-6 / 2-amino-5-chloropyrimidine-4-carboxylic acid
Basic Information
CAS
45867-11-6
Multi CAS
Yes
Molecular Formula
C5H4CLN3O2
Molecular Weight
173.560000
Exact Mass
172.999204
InChI
InChI=1S/C5H4ClN3O2/c6-2-1-8-5(7)9-3(2)4(10)11/h1H,(H,10,11)(H2,7,8,9)
InChIKey
PDLZOTZLGNZOFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.41
TPSA
89.1
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
0.3
Consensus LogP
0.36
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 45894-06-2 2-AMino-5-broMo-benzo[b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/45894-06-2.gif)
