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N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide
TL;DR: N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 727663-58-3) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylmethyl)-8-methoxy-6-nitro-2-oxochromene-3-carboxamide
Also Known As: N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide, F3127-0014, A3732/0158193, N-(1-adamantylmethyl)-8-methoxy-6-nitro-2-oxochromene-3-carboxamide, N-((3r,5r,7r)-adamantan-1-ylmethyl)-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 3.656 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 1069.4509 |
Chemical Identifiers
| CAS Number | 727663-58-3 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)NCC34CC5CC(C3)CC(C5)C4 |
Product Overview
N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 727663-58-3), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: N-(1-adamantylmethyl)-8-methoxy-6-nitro-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide
Property Insights of N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide
The XLogP value of 3.656 indicates that N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide. Following Lipinski's Rule of Five, N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide 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 N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The CAS number of N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide is 727663-58-3.
What is the molecular formula of N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The molecular formula of N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide is C22H24N2O6.
What is the molecular weight of N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide?
The molecular weight of N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide is 412.16 g/mol.
Where can I buy N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide?
You can request a quote for N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(adamantan-1-yl)methyl]-8-methoxy-6-nitro-2-oxo-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.