CAS RN: 869116-45-0
5-AMino-1H-pyrrole-2-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.20260314 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS869116-45-0
- Purity/Analytical Methods: >99.0%
869116-45-0 / 5-amino-1H-pyrrole-2-carboxylic acid
Basic Information
CAS
869116-45-0
Multi CAS
No
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
InChI
InChI=1S/C5H6N2O2/c6-4-2-1-3(7-4)5(8)9/h1-2,7H,6H2,(H,8,9)
InChIKey
RXAHTXGBWNYBQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
32.16
TPSA
79.11
LogP / Solubility
WLOGP
0.3
MLOGP
0.25
XLogP3
0.2
Consensus LogP
0.25
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-3.28
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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