Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate
TL;DR: Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate (CAS 108905-68-6) is a chemical compound with molecular formula C19H14ClNO4 and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate
Also Known As: NCIOpen2_009351, dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate, J3.016.612D, dimethyl 6-chloro-4-phenyl-2,3-quinolinedicarboxylate, 2,3-Quinolinedicarboxylicacid, 6-chloro-4-phenyl-, 2,3-dimethyl ester
| Molecular Formula | C19H14ClNO4 |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.06113 |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 108905-68-6 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1C(=O)OC)C3=CC=CC=C3 |
| InChIKey | NRXCHRCWWCBBHT-UHFFFAOYSA-N |
Product Overview
Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate (CAS 108905-68-6), with molecular formula C19H14ClNO4 and molecular weight 355.06 g/mol. IUPAC: dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate.
Chemical Property Profile of Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate
Property Insights of Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate
The XLogP value of 4.5 indicates that Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate has 0 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 Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate?
The CAS number of Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate is 108905-68-6.
What is the molecular formula of Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate?
The molecular formula of Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate is C19H14ClNO4.
What is the molecular weight of Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate?
The molecular weight of Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate is 355.06 g/mol.
Where can I buy Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate?
You can request a quote for Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.