Cyclic Urea 46
TL;DR: Cyclic Urea 46 (CAS 153182-57-1) is a chemical compound with molecular formula C33H32Br2N2O3 and molecular weight 662.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
Also Known As: Cyclic Urea 46, 1,3-Diazepin-2-one deriv., J1.389.216D, (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one, 2H-1,3-Diazepin-2-one, 1,3-bis((4-bromophenyl)methyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
| Molecular Formula | C33H32Br2N2O3 |
|---|---|
| Molecular Weight | 662.08 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 662.07794 |
| Heavy Atoms | 40 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 153182-57-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br)CC5=CC=CC=C5)O)O |
| InChIKey | ICAZGZKNGRQKPM-ZRTHHSRSSA-N |
Product Overview
Cyclic Urea 46 (CAS 153182-57-1), with molecular formula C33H32Br2N2O3 and molecular weight 662.08 g/mol. IUPAC: (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one.
Chemical Property Profile of Cyclic Urea 46
Property Insights of Cyclic Urea 46
The XLogP value of 6.7 indicates that Cyclic Urea 46 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 46. Following Lipinski's Rule of Five, Cyclic Urea 46 has 2 hydrogen bond donor(s) and 3 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 46?
The CAS number of Cyclic Urea 46 is 153182-57-1.
What is the molecular formula of Cyclic Urea 46?
The molecular formula of Cyclic Urea 46 is C33H32Br2N2O3.
What is the molecular weight of Cyclic Urea 46?
The molecular weight of Cyclic Urea 46 is 662.08 g/mol.
Where can I buy Cyclic Urea 46?
You can request a quote for Cyclic Urea 46 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic Urea 46?
Yes, KEHONG BIO provides custom synthesis services for Cyclic Urea 46 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.