CAS RN: 1190314-78-3
7-BroMo-6-azaindole-3-carboxylic acid
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190314-78-3
- Purity/Analytical Methods: >99.0%
1190314-78-3 / 7-bromo-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
7-bromo-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 7-bromo- | 7-BROMO-6-AZAINDOLE-3-CARBOXYLIC ACID
Basic Information
CAS
1190314-78-3
Multi CAS
No
Molecular Formula
C8H5BrN2O2
Molecular Weight
241.040000
Exact Mass
239.953440
SMILES
C1=CN=C(C2=C1C(=CN2)C(=O)O)Br
InChI
InChI=1S/C8H5BrN2O2/c9-7-6-4(1-2-10-7)5(3-11-6)8(12)13/h1-3,11H,(H,12,13)
InChIKey
UBBINYLJHRGPEW-UHFFFAOYSA-N
Synonyms
7-bromo-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 7-bromo-
7-BROMO-6-AZAINDOLE-3-CARBOXYLIC ACID
DTXSID001226093
MFCD12963298
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.75
TPSA
65.98
LogP / Solubility
WLOGP
2.02
MLOGP
1.79
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.75
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
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