Cyclic Urea
TL;DR: Cyclic Urea (CAS 209804-32-0) is a chemical compound with molecular formula C27H28N4O3 and molecular weight 456.22 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-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one
Also Known As: Cyclic Urea, (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one, (4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one, [4R-(4,5,6,7)]-Hexahydro-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
| Molecular Formula | C27H28N4O3 |
|---|---|
| Molecular Weight | 456.22 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.21616 |
| Heavy Atoms | 34 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 209804-32-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2)CC3=CC4=C(C=C3)NN=C4)CC5=CC=CC=C5)O)O |
| InChIKey | RHDRKQCNNGBNHC-XPGKHFPBSA-N |
Product Overview
Cyclic Urea (CAS 209804-32-0), with molecular formula C27H28N4O3 and molecular weight 456.22 g/mol. IUPAC: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one.
Chemical Property Profile of Cyclic Urea
Property Insights of Cyclic Urea
The XLogP value of 3.3 indicates that Cyclic Urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclic Urea. Following Lipinski's Rule of Five, Cyclic Urea has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclic Urea?
The CAS number of Cyclic Urea is 209804-32-0.
What is the molecular formula of Cyclic Urea?
The molecular formula of Cyclic Urea is C27H28N4O3.
What is the molecular weight of Cyclic Urea?
The molecular weight of Cyclic Urea is 456.22 g/mol.
Where can I buy Cyclic Urea?
You can request a quote for Cyclic Urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic Urea?
Yes, KEHONG BIO provides custom synthesis services for Cyclic Urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.