![CAS 1597771-07-7 8-Bromo-6-chloro-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1597771-07-7.gif)
CAS RN: 1597771-07-7
8-Bromo-6-chloro-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
- Product code: SSC-067743
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1597771-07-7 / ethyl 8-bromo-6-chloroimidazo[1,2-a]pyridine-3-carboxylate
Basic Information
CAS
1597771-07-7
Multi CAS
No
Molecular Formula
C10H8BrClN2O2
Molecular Weight
303.540000
Exact Mass
301.945770
SMILES
CCOC(=O)C1=CN=C2N1C=C(C=C2Br)Cl
InChI
InChI=1S/C10H8BrClN2O2/c1-2-16-10(15)8-4-13-9-7(11)3-6(12)5-14(8)9/h3-5H,2H2,1H3
InChIKey
FJAGWNVPTDFXSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.86
TPSA
43.6
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
3.6
Consensus LogP
3.04
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
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
No
Log Kp (skin permeation)
-2.49
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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