2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline
TL;DR: 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline (CAS 132695-86-4) is a chemical compound with molecular formula C12H11Cl2NO4 and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
Also Known As: Ccm-dichloro-thq, Methane, bromochlorofluoro-, (1S)-, 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline, 4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 5-Methoxy-1,1-bis(methylsulfanyl)hex-1-en-3-one
| Molecular Formula | C12H11Cl2NO4 |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0065 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 132695-86-4 |
|---|---|
| SMILES | C1C(C2=C(C=C(C=C2Cl)Cl)NC1C(=O)O)CC(=O)O |
| InChIKey | CHHZLBUNRQPRRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline (CAS 132695-86-4), with molecular formula C12H11Cl2NO4 and molecular weight 303.01 g/mol. IUPAC: 4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
Chemical Property Profile of 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline
Property Insights of 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline. Following Lipinski's Rule of Five, 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
The CAS number of 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline is 132695-86-4.
What is the molecular formula of 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
The molecular formula of 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline is C12H11Cl2NO4.
What is the molecular weight of 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
The molecular weight of 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline is 303.01 g/mol.
Where can I buy 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
You can request a quote for 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Carboxy-4-(carboxymethyl)-5,7-dichloro-1,2,3,4-tetrahydroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.