![CAS 310431-29-9 Methyl 5-methyl-4-oxo-1,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/310431-29-9.gif)
CAS RN: 310431-29-9
Methyl 5-methyl-4-oxo-1,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
- Product code: SSC-136269
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
310431-29-9 / methyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
Basic Information
CAS
310431-29-9
Multi CAS
Yes
Molecular Formula
C9H9N3O3
Molecular Weight
207.190000
Exact Mass
207.064391
InChI
InChI=1S/C9H9N3O3/c1-5-6(9(14)15-2)3-12-7(5)8(13)10-4-11-12/h3-4H,1-2H3,(H,10,11,13)
InChIKey
PMKPHIGFZNWPQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.89
TPSA
76.46
LogP / Solubility
WLOGP
0.12
MLOGP
0.1
XLogP3
0.4
Consensus LogP
0.21
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.9
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
-
![CAS 310435-15-5 5-Methyl-4-oxo-1,4-dihydropyrrolo[1,2-f][1,2,4]triazine-6-carboxylic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-Methyl-4-oxo-1,4-dihydropyrrolo[1,2-f][1,2,4]triazine-6-carboxylic acid
- CAS RN: 310435-15-5
- Product Code: SSC-136275
-
-
4-Chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid methyl ester
- CAS RN: 310442-40-1
- Product Code: starshine_CAS310442-40-1
- Purity/Analytical method: >99.0%
-
tert-butyl (S)-2-((R)-1-hydroxyethyl)pyrrolidine-1-carboxylate
- CAS RN: 310450-41-0
- Product Code: SSC-136278
-
-
![CAS 310435-15-5 5-Methyl-4-oxo-1,4-dihydropyrrolo[1,2-f][1,2,4]triazine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/310435-15-5.gif)
![CAS 310442-40-1 4-Chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/310442-40-1.gif)
