![10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione structure](/static/products/879/879575-53-8.png)
10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
TL;DR: 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione (CAS 879575-53-8) is a chemical compound with molecular formula C21H18N4O6 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(furan-2-yl)-3,5-dimethyl-8-(3-nitrophenyl)-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
Also Known As: 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione, 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-7,8-dihydro-1H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H,10H)-dione
| Molecular Formula | C21H18N4O6 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 2.3265 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.12262 |
| Heavy Atoms | 31 |
| Complexity | 1458.0256 |
Chemical Identifiers
| CAS Number | 879575-53-8 |
|---|---|
| SMILES | CN1C2=C3C(OCCN3C(=C2C(=O)N(C1=O)C)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CO5 |
Product Overview
10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione (CAS 879575-53-8), with molecular formula C21H18N4O6 and molecular weight 422.12 g/mol. IUPAC: 13-(furan-2-yl)-3,5-dimethyl-8-(3-nitrophenyl)-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione.
Chemical Property Profile of 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Property Insights of 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
The XLogP value of 2.3265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione. Following Lipinski's Rule of Five, 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione has 0 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 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione?
The CAS number of 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione is 879575-53-8.
What is the molecular formula of 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione?
The molecular formula of 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione is C21H18N4O6.
What is the molecular weight of 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione?
The molecular weight of 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione is 422.12 g/mol.
Where can I buy 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione?
You can request a quote for 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 10-(furan-2-yl)-1,3-dimethyl-5-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.