![CAS 1086392-42-8 Ethyl 4-broMo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1086392-42-8.gif)
CAS RN: 1086392-42-8
Ethyl 4-broMo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260503 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1086392-42-8
- Purity/Analytical Methods: >99.0%
1086392-42-8 / ethyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
Ethyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate | ETHYL 4-BROMO-6-AZAINDOLE-2-CARBOXYLATE | 4-BROMO-1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
Basic Information
CAS
1086392-42-8
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CCOC(=O)C1=CC2=C(C=NC=C2N1)Br
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-3-6-7(11)4-12-5-9(6)13-8/h3-5,13H,2H2,1H3
InChIKey
LUSCCKWUEAJJDE-UHFFFAOYSA-N
Synonyms
Ethyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
ETHYL 4-BROMO-6-AZAINDOLE-2-CARBOXYLATE
4-BROMO-1H-PYRROLO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
Ethyl4-bromo-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
MFCD11506122
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.75
TPSA
54.98
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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