Cyclic urea deriv.
TL;DR: Cyclic urea deriv. (CAS 183854-16-2) is a chemical compound with molecular formula C43H40N8O5 and molecular weight 748.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide
Also Known As: Cyclic urea 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-2-pyrimidinyl-, (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-2-pyrimidinylbenzamide), (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-2-pyrimidinylbenzamide], 2-{3-[4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[3-(2-pyrimidinylcarbamoyl)benzyl]-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}pyrimidine
| Molecular Formula | C43H40N8O5 |
|---|---|
| Molecular Weight | 748.31 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 748.3122 |
| Heavy Atoms | 56 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 183854-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)C(=O)NC4=NC=CC=N4)CC5=CC(=CC=C5)C(=O)NC6=NC=CC=N6)CC7=CC=CC=C7)O)O |
| InChIKey | KWIOWBKKSAFPTL-RNATXAOGSA-N |
Product Overview
Cyclic urea deriv. (CAS 183854-16-2), with molecular formula C43H40N8O5 and molecular weight 748.31 g/mol. IUPAC: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(pyrimidin-2-ylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-pyrimidin-2-ylbenzamide.
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 174.0 Ų indicates high polarity, suggesting Cyclic urea deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclic urea deriv. has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclic urea deriv.?
The CAS number of Cyclic urea deriv. is 183854-16-2.
What is the molecular formula of Cyclic urea deriv.?
The molecular formula of Cyclic urea deriv. is C43H40N8O5.
What is the molecular weight of Cyclic urea deriv.?
The molecular weight of Cyclic urea deriv. is 748.31 g/mol.
Where can I buy Cyclic urea deriv.?
You can request a quote for Cyclic urea deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic urea deriv.?
Yes, KEHONG BIO provides custom synthesis services for Cyclic urea deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.