Cyclic Urea 45
TL;DR: Cyclic Urea 45 (CAS 152929-67-4) is a chemical compound with molecular formula C33H32Br2N2O3 and molecular weight 662.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
Also Known As: Cyclic Urea 45, 1,3-Diazepin-2-one deriv., J1.389.213J, (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one, 2H-1,3-Diazepin-2-one, 1,3-bis((3-bromophenyl)methyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Technical Specifications
| Molecular Formula | C33H32Br2N2O3 |
| Molecular Weight | 662.07794 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 662.07794 Da |
| Heavy Atoms | 40 |
| Complexity | 728.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)Br)CC4=CC(=CC=C4)Br)CC5=CC=CC=C5)O)O |
| InChIKey | DCQYMSCVLYZBBA-ZRTHHSRSSA-N |
Chemical Property Profile of Cyclic Urea 45
Property Insights of Cyclic Urea 45
The XLogP value of 6.7 indicates that Cyclic Urea 45 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclic Urea 45. Following Lipinski's Rule of Five, Cyclic Urea 45 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cyclic Urea 45?
The CAS number of Cyclic Urea 45 is 152929-67-4.
What is the molecular formula of Cyclic Urea 45?
The molecular formula of Cyclic Urea 45 is C33H32Br2N2O3.
What is the molecular weight of Cyclic Urea 45?
The molecular weight of Cyclic Urea 45 is 662.07794 g/mol.
Where can I buy Cyclic Urea 45?
You can request a quote for Cyclic Urea 45 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclic Urea 45?
Yes, CoreyChem provides custom synthesis services for Cyclic Urea 45 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.