1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
TL;DR: 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 695211-98-4) is a chemical compound with molecular formula C14H21N3O3 and molecular weight 279.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(azepan-1-yl)-2-oxoethyl]-3,6-dimethylpyrimidine-2,4-dione
Also Known As: A3353/0142293, 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione, 1-[2-(azepan-1-yl)-2-oxoethyl]-3,6-dimethylpyrimidine-2,4(1H,3H)-dione, 1-[2-(azepan-1-yl)-2-oxoethyl]-3,6-dimethylpyrimidine-2,4-dione, 1-(2-azaperhydroepinyl-2-oxoethyl)-3,6-dimethyl-1,3-dihydropyrimidine-2,4-dion e
| Molecular Formula | C14H21N3O3 |
|---|---|
| Molecular Weight | 279.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.1583 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 695211-98-4 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=O)N1CC(=O)N2CCCCCC2)C |
| InChIKey | SXHKSGXBIZPRTA-UHFFFAOYSA-N |
Product Overview
1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione (CAS 695211-98-4), with molecular formula C14H21N3O3 and molecular weight 279.16 g/mol. IUPAC: 1-[2-(azepan-1-yl)-2-oxoethyl]-3,6-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
Property Insights of 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione has 0 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 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione is 695211-98-4.
What is the molecular formula of 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione is C14H21N3O3.
What is the molecular weight of 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione is 279.16 g/mol.
Where can I buy 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-azepan-1-yl-2-oxoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.