Cyclic urea deriv.
TL;DR: Cyclic urea deriv. (CAS 152928-66-0) 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-(dimethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-N,N-dimethylbenzamide
Also Known As: Cyclic urea deriv., 1H-1,3-Diazepine, benzamide deriv., Benzamide, 3,3'-((tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N,N-dimethyl-, (4R-(4alpha,5alpha,6beta,7beta))-, (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,N'-dimethylbenzamide), (4a.alpha.,5.alpha.,6.beta.,7.beta.)-3,3'-[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)bis[N,N'-dimethylbenzamide]
Technical Specifications
| Molecular Formula | C39H44N4O5 |
| Molecular Weight | 648.3312 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 648.3312 Da |
| Heavy Atoms | 48 |
| Complexity | 977.0 |
| SMILES | CN(C)C(=O)C1=CC=CC(=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC(=CC=C3)C(=O)N(C)C)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5 |
| InChIKey | UERFODOOUFFMRK-NWJWHWDBSA-N |
Chemical Property Profile of Cyclic urea deriv.
Property Insights of Cyclic urea deriv.
The XLogP value of 4.2 indicates that Cyclic urea deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclic urea deriv.. Following Lipinski's Rule of Five, Cyclic urea deriv. has 2 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 deriv.?
The CAS number of Cyclic urea deriv. is 152928-66-0.
What is the molecular formula of Cyclic urea deriv.?
The molecular formula of Cyclic urea deriv. is C39H44N4O5.
What is the molecular weight of Cyclic urea deriv.?
The molecular weight of Cyclic urea deriv. is 648.3312 g/mol.
Where can I buy Cyclic urea deriv.?
You can request a quote for Cyclic urea deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclic urea deriv.?
Yes, CoreyChem provides custom synthesis services for Cyclic urea deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.