Cyclic Urea 53
TL;DR: Cyclic Urea 53 (CAS 153182-39-9) is a chemical compound with molecular formula C35H38N2O5 and molecular weight 566.28 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-5,6-dihydroxy-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazepan-2-one
Also Known As: Cyclic Urea 53, J1.003.691G, (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazepan-2-one, 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((4-methoxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-, (4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-1,3-bis(4-methoxybenzyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
| Molecular Formula | C35H38N2O5 |
|---|---|
| Molecular Weight | 566.28 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.2781 |
| Heavy Atoms | 42 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 153182-39-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC=C(C=C3)OC)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5 |
| InChIKey | WHRABYWAWCKTGZ-WZJLIZBTSA-N |
Product Overview
Cyclic Urea 53 (CAS 153182-39-9), with molecular formula C35H38N2O5 and molecular weight 566.28 g/mol. IUPAC: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazepan-2-one.
Chemical Property Profile of Cyclic Urea 53
Property Insights of Cyclic Urea 53
The XLogP value of 5.2 indicates that Cyclic Urea 53 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclic Urea 53. Following Lipinski's Rule of Five, Cyclic Urea 53 has 2 hydrogen bond donor(s) and 5 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 53?
The CAS number of Cyclic Urea 53 is 153182-39-9.
What is the molecular formula of Cyclic Urea 53?
The molecular formula of Cyclic Urea 53 is C35H38N2O5.
What is the molecular weight of Cyclic Urea 53?
The molecular weight of Cyclic Urea 53 is 566.28 g/mol.
Where can I buy Cyclic Urea 53?
You can request a quote for Cyclic Urea 53 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic Urea 53?
Yes, KEHONG BIO provides custom synthesis services for Cyclic Urea 53 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.