A2536/0107868
TL;DR: A2536/0107868 (CAS 347323-62-0) is a chemical compound with molecular formula C24H21ClN2O5 and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2536/0107868, benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, phenylmethyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroqui noline-3-carboxylate
| Molecular Formula | C24H21ClN2O5 |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 4.9595 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.1139 |
| Heavy Atoms | 32 |
| Complexity | 1170.167 |
Chemical Identifiers
| CAS Number | 347323-62-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4 |
Product Overview
A2536/0107868 (CAS 347323-62-0), with molecular formula C24H21ClN2O5 and molecular weight 452.11 g/mol. IUPAC: benzyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2536/0107868
Property Insights of A2536/0107868
The XLogP value of 4.9595 indicates that A2536/0107868 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 A2536/0107868. Following Lipinski's Rule of Five, A2536/0107868 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 A2536/0107868?
The CAS number of A2536/0107868 is 347323-62-0.
What is the molecular formula of A2536/0107868?
The molecular formula of A2536/0107868 is C24H21ClN2O5.
What is the molecular weight of A2536/0107868?
The molecular weight of A2536/0107868 is 452.11 g/mol.
Where can I buy A2536/0107868?
You can request a quote for A2536/0107868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2536/0107868?
Yes, KEHONG BIO provides custom synthesis services for A2536/0107868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.