6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione
TL;DR: 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione (CAS 87723-26-0) is a chemical compound with molecular formula C18H14N2O9 and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1-(3,4,5-trimethoxybenzoyl)-3,1-benzoxazine-2,4-dione
Also Known As: 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione, 6-nitro-1-(3,4,5-trimethoxybenzoyl)-3,1-benzoxazine-2,4-dione, 1,8-Octanediaminium,N,N'-didecyl-N,N,N',N'-tetramethyl-,dibromide, 6-nitro-1-(3,4,5-trimethoxybenzoyl)-3,1-benzoxazine-2,4-dion
| Molecular Formula | C18H14N2O9 |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.06992 |
| Heavy Atoms | 29 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 87723-26-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC2=O |
| InChIKey | OWJJUNFVCFMWGL-UHFFFAOYSA-N |
Product Overview
6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione (CAS 87723-26-0), with molecular formula C18H14N2O9 and molecular weight 402.07 g/mol. IUPAC: 6-nitro-1-(3,4,5-trimethoxybenzoyl)-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione
Property Insights of 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione. Following Lipinski's Rule of Five, 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione has 0 hydrogen bond donor(s) and 9 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 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
The CAS number of 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione is 87723-26-0.
What is the molecular formula of 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
The molecular formula of 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione is C18H14N2O9.
What is the molecular weight of 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
The molecular weight of 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione is 402.07 g/mol.
Where can I buy 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
You can request a quote for 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-1-(3,4,5-trimethoxybenzoyl)-2H-3,1-benzoxazine-2,4(1H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.