CAS RN: 1150098-39-7
7-chloro-1,2,3,5-tetrahydro-5-oxoindolizine-8-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.20250808 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-014700
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 |
1150098-39-7 / 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
7-CHLORO-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIC ACID | MFCD18711541 | 7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
Basic Information
CAS
1150098-39-7
Multi CAS
No
Molecular Formula
C9H8ClNO3
Molecular Weight
213.620000
Exact Mass
213.019271
SMILES
C1CC2=C(C(=CC(=O)N2C1)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO3/c10-5-4-7(12)11-3-1-2-6(11)8(5)9(13)14/h4H,1-3H2,(H,13,14)
InChIKey
BLFBEBOCEPNCRD-UHFFFAOYSA-N
Synonyms
7-CHLORO-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIC ACID
MFCD18711541
7-chloro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
7-Chloro-1,2,3,5-tetrahydro-5-oxoindolizine-8-carboxylic acid
SCHEMBL693438
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.99
TPSA
59.3
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
0.4
Consensus LogP
0.85
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
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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