![CAS 1434141-72-6 methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1434141-72-6.gif)
CAS RN: 1434141-72-6
methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
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.20250603 | 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1434141-72-6
- Purity/Analytical Methods: >99.0%
1434141-72-6 / methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Basic Information
CAS
1434141-72-6
Multi CAS
No
Molecular Formula
C9H7N3O4
Molecular Weight
221.170000
Exact Mass
221.043656
SMILES
COC(=O)C1=CNC2=C1C=C(C=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O4/c1-16-9(13)7-4-11-8-6(7)2-5(3-10-8)12(14)15/h2-4H,1H3,(H,10,11)
InChIKey
GMLPCJJUCWEWJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.09
TPSA
98.12
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1434141-75-9 5-({[(tert-butoxy)carbonyl]amino}methyl)cyclohex-1-ene-1-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-({[(tert-butoxy)carbonyl]amino}methyl)cyclohex-1-ene-1-carboxylic acid
- CAS RN: 1434141-75-9
- Product Code: SSC-054853
-
tert-butyl 2-oxo-5-azaspiro[3.4]octane-5-carboxylate
- CAS RN: 1434141-78-2
- Product Code: SSC-054855
-
TERT-BUTYL N-(3-HYDROXY-2,2-DIMETHYLCYCLOBUTYL)CARBAMATE
- CAS RN: 1434141-79-3
- Product Code: SSC-054856
-
-
-
endo-7-(Boc-aMino)-3-oxa-9-aza-bicyclo[3.3.1]nonane
- CAS RN: 1434141-83-9
- Product Code: SSC-054859
![CAS 1434141-75-9 5-({[(tert-butoxy)carbonyl]amino}methyl)cyclohex-1-ene-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1434141-75-9.gif)
![CAS 1434141-78-2 tert-butyl 2-oxo-5-azaspiro[3.4]octane-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1434141-78-2.gif)
![CAS 1434141-83-9 endo-7-(Boc-aMino)-3-oxa-9-aza-bicyclo[3.3.1]nonane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02704652(1).gif)