Cyclic Urea
TL;DR: Cyclic Urea (CAS 167825-84-5) is a chemical compound with molecular formula C35H34N6O3 and molecular weight 586.2692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one
Also Known As: Cyclic Urea, Indazole, 1, Cyclic urea deriv., (5S,6S,4R,7R)-1,3-Bis((1H-indazol-5-yl)methyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepin-2-one, (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one
Technical Specifications
| Molecular Formula | C35H34N6O3 |
| Molecular Weight | 586.2692 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 586.2692 Da |
| Heavy Atoms | 44 |
| Complexity | 871.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC4=C(C=C3)NN=C4)CC5=CC6=C(C=C5)NN=C6)CC7=CC=CC=C7)O)O |
| InChIKey | QMCVFDPMIZPVDS-WZJLIZBTSA-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 121.0 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 167825-84-5.
What is the molecular formula of Cyclic Urea?
The molecular formula of Cyclic Urea is C35H34N6O3.
What is the molecular weight of Cyclic Urea?
The molecular weight of Cyclic Urea is 586.2692 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.