Cyclic Urea
TL;DR: Cyclic Urea (CAS 152928-65-9) is a chemical compound with molecular formula C39H44N4O5 and molecular weight 648.3312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(ethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-N-ethylbenzamide
Also Known As: Cyclic Urea, Cyclic urea deriv., 1H-1,3-Diazepine, benzamide deriv., Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-ethyl-, (4aalpha,5alpha,6beta,7beta)-3,3'-(Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)bis(N-ethylbenzamide)
Technical Specifications
| Molecular Formula | C39H44N4O5 |
| Molecular Weight | 648.3312 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 648.3312 Da |
| Heavy Atoms | 48 |
| Complexity | 952.0 |
| SMILES | CCNC(=O)C1=CC=CC(=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC(=CC=C3)C(=O)NCC)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5 |
| InChIKey | NHEIBOKBLUFHEF-NWJWHWDBSA-N |
Chemical Property Profile of Cyclic Urea
Property Insights of Cyclic Urea
The XLogP value of 4.6 indicates that Cyclic Urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclic Urea. Following Lipinski's Rule of Five, Cyclic Urea has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cyclic Urea?
The CAS number of Cyclic Urea is 152928-65-9.
What is the molecular formula of Cyclic Urea?
The molecular formula of Cyclic Urea is C39H44N4O5.
What is the molecular weight of Cyclic Urea?
The molecular weight of Cyclic Urea is 648.3312 g/mol.
Where can I buy Cyclic Urea?
You can request a quote for Cyclic Urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclic Urea?
Yes, CoreyChem provides custom synthesis services for Cyclic Urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.