A3016/0127125
TL;DR: A3016/0127125 (CAS 442568-71-0) is a chemical compound with molecular formula C32H27NO6S and molecular weight 553.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A3016/0127125, 2-phenoxyethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-7-(2-thienyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenoxyethyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C32H27NO6S |
|---|---|
| Molecular Weight | 553.16 g/mol |
| LogP | 5.8383 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 553.1559 |
| Heavy Atoms | 40 |
| Complexity | 1700.2688 |
Chemical Identifiers
| CAS Number | 442568-71-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OCCOC6=CC=CC=C6 |
Product Overview
A3016/0127125 (CAS 442568-71-0), with molecular formula C32H27NO6S and molecular weight 553.16 g/mol. IUPAC: 2-phenoxyethyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A3016/0127125
Property Insights of A3016/0127125
The XLogP value of 5.8383 indicates that A3016/0127125 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3016/0127125. Following Lipinski's Rule of Five, A3016/0127125 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3016/0127125?
The CAS number of A3016/0127125 is 442568-71-0.
What is the molecular formula of A3016/0127125?
The molecular formula of A3016/0127125 is C32H27NO6S.
What is the molecular weight of A3016/0127125?
The molecular weight of A3016/0127125 is 553.16 g/mol.
Where can I buy A3016/0127125?
You can request a quote for A3016/0127125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3016/0127125?
Yes, KEHONG BIO provides custom synthesis services for A3016/0127125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.