A2552/0108651
TL;DR: A2552/0108651 (CAS 347314-89-0) is a chemical compound with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2552/0108651, methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, METHYL 4-(4-CHLORO-3-NITROPHENYL)-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE, methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline -3-carboxylate, methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C18H17ClN2O5 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.3891 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.0826 |
| Heavy Atoms | 26 |
| Complexity | 887.5677 |
Chemical Identifiers
| CAS Number | 347314-89-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC |
Product Overview
A2552/0108651 (CAS 347314-89-0), with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol. IUPAC: methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2552/0108651
Property Insights of A2552/0108651
The XLogP value of 3.3891 indicates that A2552/0108651 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 A2552/0108651. Following Lipinski's Rule of Five, A2552/0108651 has 1 hydrogen bond donor(s) and 6 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 A2552/0108651?
The CAS number of A2552/0108651 is 347314-89-0.
What is the molecular formula of A2552/0108651?
The molecular formula of A2552/0108651 is C18H17ClN2O5.
What is the molecular weight of A2552/0108651?
The molecular weight of A2552/0108651 is 376.08 g/mol.
Where can I buy A2552/0108651?
You can request a quote for A2552/0108651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2552/0108651?
Yes, KEHONG BIO provides custom synthesis services for A2552/0108651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.