Research chemical
CAS Number: 2679951-08-5
![rac-(3aR,4S,9bS)-8-chloro-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid molecular structure, CAS 2679951-08-5](/structure-images/2679951-08-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
98696182
Exact Mass
263.071306
InChIKey
QGBJKSXGAYOVCU-GBIKHYSHSA-N
IUPAC Name
(3aS,4R,9bR)-8-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
SMILES String
Cc1cc(Cl)cc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
rac-(3aR,4S,9bS)-8-chloro-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid is identified by CAS 2679951-08-5, with molecular formula C14H14ClNO2, molecular weight 263.72, InChIKey QGBJKSXGAYOVCU-GBIKHYSHSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
190.0 °C
Boiling Point
420.0 °C
Density
1.3 g/cm³
Water Solubility
Slightly soluble
Flash Point
250.0 °C
Vapor Pressure
Estimated very low; unit not specified
Autoignition Temp
400.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
18
H-bond acceptors
3
H-bond donors
2
Rotatable bonds
1
Ring count
3
Aromatic rings
1
Topological polar surface area
49.33 Ų
Computed LogP
3.19
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
rac-(3aR,4S,9bS)-8-chloro-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid is a racemic cyclopenta[c]quinoline derivative, featuring a chlorinated and methylated carboxylic acid structure.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
This compound is suitable for research and development purposes, particularly in medicinal chemistry, drug discovery, and synthetic organic chemistry.
Documentation needs
Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.