6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
TL;DR: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione (CAS 6483-90-5) is a chemical compound with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
Also Known As: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione, 6-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C19H22N4O6 |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 0.9159 |
| Topological Polar Surface Area | 119.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.15393 |
| Heavy Atoms | 29 |
| Complexity | 1026.1454 |
Chemical Identifiers
| CAS Number | 6483-90-5 |
|---|---|
| SMILES | CN1C(=O)C(=C(NC1=O)N2CCC3(CC2)OCCO3)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione (CAS 6483-90-5), with molecular formula C19H22N4O6 and molecular weight 402.15 g/mol. IUPAC: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
Property Insights of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
The XLogP value of 0.9159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione. The TPSA of 119.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione has 1 hydrogen bond donor(s) and 7 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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The CAS number of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione is 6483-90-5.
What is the molecular formula of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The molecular formula of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione is C19H22N4O6.
What is the molecular weight of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
The molecular weight of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione is 402.15 g/mol.
Where can I buy 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
You can request a quote for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.