CAS RN: 1206981-88-5
8-Bromo-indolizine-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260218 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-021843
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 |
1206981-88-5 / 8-bromoindolizine-2-carboxylic acid
8-BROMOINDOLIZINE-2-CARBOXYLIC ACID | 8-Bromo-indolizine-2-carboxylic acid | MFCD22549479
Basic Information
CAS
1206981-88-5
Multi CAS
Yes
Molecular Formula
C9H6BrNO2
Molecular Weight
240.050000
Exact Mass
238.958190
SMILES
C1=CN2C=C(C=C2C(=C1)Br)C(=O)O
InChI
InChI=1S/C9H6BrNO2/c10-7-2-1-3-11-5-6(9(12)13)4-8(7)11/h1-5H,(H,12,13)
InChIKey
HBKRLJCXLMFGBM-UHFFFAOYSA-N
Synonyms
8-BROMOINDOLIZINE-2-CARBOXYLIC ACID
8-Bromo-indolizine-2-carboxylic acid
MFCD22549479
8-Bromo-indolizine-2-carboxylicacid
SCHEMBL27972529
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.06
TPSA
41.71
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.48
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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