MixCom6_000107
TL;DR: MixCom6_000107 (CAS 423127-65-5) is a chemical compound with molecular formula C25H26FN3O6S and molecular weight 515.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperidine-4-carboxylate
Also Known As: MixCom6_000107, ChemDiv1_015947, Ethyl 1-[[6-[[(4-Fluorophenyl)methylamino]sulfonyl]-1,4-dihydro-4-oxo-3-quinolinyl]carbonyl]-4-piperidinecarboxylate, ethyl 1-[6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperidine-4-carboxylate, ETHYL 1-{6-[(4-FLUOROPHENYL)(METHYL)SULFAMOYL]-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONYL}PIPERIDINE-4-CARBOXYLATE
| Molecular Formula | C25H26FN3O6S |
|---|---|
| Molecular Weight | 515.15 g/mol |
| LogP | 2.9076 |
| Topological Polar Surface Area | 116.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.15265 |
| Heavy Atoms | 36 |
| Complexity | 1461.388 |
Chemical Identifiers
| CAS Number | 423127-65-5 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)C4=CC=C(C=C4)F |
Product Overview
MixCom6_000107 (CAS 423127-65-5), with molecular formula C25H26FN3O6S and molecular weight 515.15 g/mol. IUPAC: ethyl 1-[6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperidine-4-carboxylate.
Chemical Property Profile of MixCom6_000107
Property Insights of MixCom6_000107
The XLogP value of 2.9076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_000107. The TPSA of 116.85 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_000107. Following Lipinski's Rule of Five, MixCom6_000107 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MixCom6_000107?
The CAS number of MixCom6_000107 is 423127-65-5.
What is the molecular formula of MixCom6_000107?
The molecular formula of MixCom6_000107 is C25H26FN3O6S.
What is the molecular weight of MixCom6_000107?
The molecular weight of MixCom6_000107 is 515.15 g/mol.
Where can I buy MixCom6_000107?
You can request a quote for MixCom6_000107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_000107?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_000107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.