A3857/0163780
TL;DR: A3857/0163780 (CAS 727391-98-2) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
Also Known As: A3857/0163780, N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamide, N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-4-quinolinecarboxamide, N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide, 2-hydroxy-N-(5-methoxy-2-methylphenyl)-5-oxo-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 2.08532 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 751.3857 |
Chemical Identifiers
| CAS Number | 727391-98-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC)NC(=O)C2CC(=O)NC3=C2C(=O)CCC3 |
Product Overview
A3857/0163780 (CAS 727391-98-2), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide.
Chemical Property Profile of A3857/0163780
Property Insights of A3857/0163780
The XLogP value of 2.08532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3857/0163780. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for A3857/0163780. Following Lipinski's Rule of Five, A3857/0163780 has 2 hydrogen bond donor(s) and 4 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 A3857/0163780?
The CAS number of A3857/0163780 is 727391-98-2.
What is the molecular formula of A3857/0163780?
The molecular formula of A3857/0163780 is C18H20N2O4.
What is the molecular weight of A3857/0163780?
The molecular weight of A3857/0163780 is 328.14 g/mol.
Where can I buy A3857/0163780?
You can request a quote for A3857/0163780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3857/0163780?
Yes, KEHONG BIO provides custom synthesis services for A3857/0163780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.