![CAS 1356016-45-9 pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356016-45-9.gif)
CAS RN: 1356016-45-9
pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250510 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1356016-45-9
- Purity/Analytical Methods: >99.0%
1356016-45-9 / pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid
Basic Information
CAS
1356016-45-9
Multi CAS
No
Molecular Formula
C7H5N3O2
Molecular Weight
163.130000
Exact Mass
163.038176
SMILES
C1=C2C=NC=NN2C(=C1)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)6-2-1-5-3-8-4-9-10(5)6/h1-4H,(H,11,12)
InChIKey
GUMNWRMUBOJYLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.95
TPSA
67.49
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
0.3
Consensus LogP
0.37
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-3.41
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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![CAS 1356020-01-3 (4S)-2-[[[(2R)-2-AMino-2-(4-hydroxyphenyl)acetyl]aMino]Methyl]-5,5-diMethyl-4-thiazolidinecarboxylic Acid (Mixture of DiastereoMers) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356020-01-3.gif)
