![CAS 1177092-98-6 6-BroMo-iMidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester hydrobroMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1177092-98-6.gif)
CAS RN: 1177092-98-6
6-BroMo-iMidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester hydrobroMide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1177092-98-6
- Purity/Analytical Methods: >99.0%
1177092-98-6 / ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
Ethyl 6-Bromoimidazo[1,2-a]pyridine-2-carboxylate hydrobromide | MFCD09991793 | 6-Bromo-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester hydrobromide
Basic Information
CAS
1177092-98-6
Multi CAS
No
Molecular Formula
C10H10Br2N2O2
Molecular Weight
350.010000
Exact Mass
349.908850
SMILES
CCOC(=O)C1=CN2C=C(C=CC2=N1)Br.Br
InChI
InChI=1S/C10H9BrN2O2.BrH/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;/h3-6H,2H2,1H3;1H
InChIKey
JKHQSFVEVPBJCF-UHFFFAOYSA-N
Synonyms
Ethyl 6-Bromoimidazo[1,2-a]pyridine-2-carboxylate hydrobromide
MFCD09991793
6-Bromo-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester hydrobromide
ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylatehydrobromide
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.17
TPSA
43.6
LogP / Solubility
WLOGP
2.85
MLOGP
2.53
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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