Cyclic Urea 42
TL;DR: Cyclic Urea 42 (CAS 153182-55-9) is a chemical compound with molecular formula C33H32Cl2N2O3 and molecular weight 574.18 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[(2-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
Also Known As: Cyclic Urea 42, 1,3-Diazepin-2-one deriv., (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one, J2.516.872K, 2H-1,3-Diazepin-2-one, 1,3-bis((2-chlorophenyl)methyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
| Molecular Formula | C33H32Cl2N2O3 |
|---|---|
| Molecular Weight | 574.18 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.179 |
| Heavy Atoms | 40 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 153182-55-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=CC=C3Cl)CC4=CC=CC=C4Cl)CC5=CC=CC=C5)O)O |
| InChIKey | DOUAIUPZABTSSV-ZRTHHSRSSA-N |
Product Overview
Cyclic Urea 42 (CAS 153182-55-9), with molecular formula C33H32Cl2N2O3 and molecular weight 574.18 g/mol. IUPAC: (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one.
Chemical Property Profile of Cyclic Urea 42
Property Insights of Cyclic Urea 42
The XLogP value of 6.6 indicates that Cyclic Urea 42 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 42. Following Lipinski's Rule of Five, Cyclic Urea 42 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 42?
The CAS number of Cyclic Urea 42 is 153182-55-9.
What is the molecular formula of Cyclic Urea 42?
The molecular formula of Cyclic Urea 42 is C33H32Cl2N2O3.
What is the molecular weight of Cyclic Urea 42?
The molecular weight of Cyclic Urea 42 is 574.18 g/mol.
Where can I buy Cyclic Urea 42?
You can request a quote for Cyclic Urea 42 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic Urea 42?
Yes, KEHONG BIO provides custom synthesis services for Cyclic Urea 42 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.