CAS RN: 1246088-38-9
4-Chloro-5-fluoro-7-azaindole-6-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.20250610 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1246088-38-9
- Purity/Analytical Methods: >99.0%
1246088-38-9 / 4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
Basic Information
CAS
1246088-38-9
Multi CAS
No
Molecular Formula
C8H4ClFN2O2
Molecular Weight
214.580000
Exact Mass
213.994533
SMILES
C1=CNC2=NC(=C(C(=C21)Cl)F)C(=O)O
InChI
InChI=1S/C8H4ClFN2O2/c9-4-3-1-2-11-7(3)12-6(5(4)10)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
YVKQWOUKLUGWFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.02
TPSA
65.98
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
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 1246088-42-5 6-Iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-Iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
- CAS RN: 1246088-42-5
- Product Code: SSC-028607
-
5-Bromo-2-ethyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1246088-50-5
- Product Code: starshine_CAS1246088-50-5
- Purity/Analytical method: >99.0%
-
2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-8-amine
- CAS RN: 1246088-52-7
- Product Code: SSC-028608
-
3-Allyl-1,5-naphthyridine
- CAS RN: 1246088-66-3
- Product Code: starshine_CAS1246088-66-3
- Purity/Analytical method: >99.0%
-
-
methyl 4-chlorothieno[3,2-d]pyrimidine-7-carboxylate
- CAS RN: 1246223-44-8
- Product Code: starshine_CAS1246223-44-8
- Purity/Analytical method: >99.0%
![CAS 1246088-42-5 6-Iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246088-42-5.gif)
![CAS 1246088-50-5 5-Bromo-2-ethyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246088-50-5.gif)
![CAS 1246088-52-7 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-8-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246088-52-7.gif)
![CAS 1246223-44-8 methyl 4-chlorothieno[3,2-d]pyrimidine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246223-44-8.gif)