4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-
TL;DR: 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl- (CAS 61280-40-8) is a chemical compound with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
Also Known As: 2- -5-phenylpyrimidine-4,6 -dione, 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-, 5-25-16-00033 (Beilstein Handbook Reference), 2-(azepan-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione, 2-(azepan-1-yl)-5-phenylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C16H19N3O2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 1.6586 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.14774 |
| Heavy Atoms | 21 |
| Complexity | 560.14465 |
Chemical Identifiers
| CAS Number | 61280-40-8 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC(=O)C(C(=O)N2)C3=CC=CC=C3 |
Product Overview
4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl- (CAS 61280-40-8), with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol. IUPAC: 2-(azepan-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione.
Chemical Property Profile of 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-
Property Insights of 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-
The XLogP value of 1.6586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-. Following Lipinski's Rule of Five, 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl- has 1 hydrogen bond donor(s) and 3 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 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-?
The CAS number of 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl- is 61280-40-8.
What is the molecular formula of 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-?
The molecular formula of 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl- is C16H19N3O2.
What is the molecular weight of 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-?
The molecular weight of 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl- is 285.15 g/mol.
Where can I buy 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-?
You can request a quote for 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.