![CAS 1000845-67-9 6-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000845-67-9.gif)
CAS RN: 1000845-67-9
6-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
- Product code: SSC-000381
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1000845-67-9 / 6-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
6-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid | 1000845-67-9 | MFCD19105313
Basic Information
CAS
1000845-67-9
Multi CAS
No
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.070000
Exact Mass
253.969090
SMILES
CC1=C(C=CC2=NC(=CN12)C(=O)O)Br
InChI
InChI=1S/C9H7BrN2O2/c1-5-6(10)2-3-8-11-7(9(13)14)4-12(5)8/h2-4H,1H3,(H,13,14)
InChIKey
SPBREWWYKGHQBZ-UHFFFAOYSA-N
Synonyms
6-bromo-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
1000845-67-9
MFCD19105313
SCHEMBL2086528
SPBREWWYKGHQBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.59
TPSA
54.6
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.7
Consensus LogP
2.22
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-(prop-2-yn-1-yl)-4-(pyren-1-yl)butanamide
- CAS RN: 1000852-25-4
- Product Code: starshine_CAS1000852-25-4
- Purity/Analytical method: >99.0%
-
14,15-LEUKOTRIENE E4
- CAS RN: 1000852-57-2
- Product Code: starshine_CAS1000852-57-2
- Purity/Analytical method: >99.0%
-
(R)-tert-butyl 2-Methylpiperazine-1-carboxylate hydrochloride
- CAS RN: 1000853-53-1
- Product Code: starshine_CAS1000853-53-1
- Purity/Analytical method: >99.0%
-
Eupalinolide C
- CAS RN: 1000865-06-4
- Product Code: starshine_CAS1000865-06-4
- Purity/Analytical method: >99.0%
-
Boronic acid, B-(1-naphthalenyl-2,3,4,5,6,7,8-d7)-
- CAS RN: 1000869-26-0
- Product Code: SSC-000382
-
(1R,2R,4S)-rel-2-AMino-7-Boc-7-Azabicyclo[2.2.1]heptane
- CAS RN: 1000870-15-4
- Product Code: SSC-000383
![CAS 1000870-15-4 (1R,2R,4S)-rel-2-AMino-7-Boc-7-Azabicyclo[2.2.1]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000870-15-4.gif)