A2555/0108810
TL;DR: A2555/0108810 (CAS 347319-65-7) is a chemical compound with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2555/0108810, methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(2-thienyl)-1,4,6,7,8-pentahydroquin oline-3-carboxylate, methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C22H20N2O5S |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 4.1909 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.10928 |
| Heavy Atoms | 30 |
| Complexity | 1083.241 |
Chemical Identifiers
| CAS Number | 347319-65-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
A2555/0108810 (CAS 347319-65-7), with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol. IUPAC: methyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2555/0108810
Property Insights of A2555/0108810
The XLogP value of 4.1909 indicates that A2555/0108810 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for A2555/0108810. Following Lipinski's Rule of Five, A2555/0108810 has 1 hydrogen bond donor(s) and 7 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 A2555/0108810?
The CAS number of A2555/0108810 is 347319-65-7.
What is the molecular formula of A2555/0108810?
The molecular formula of A2555/0108810 is C22H20N2O5S.
What is the molecular weight of A2555/0108810?
The molecular weight of A2555/0108810 is 424.11 g/mol.
Where can I buy A2555/0108810?
You can request a quote for A2555/0108810 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2555/0108810?
Yes, KEHONG BIO provides custom synthesis services for A2555/0108810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.