Cyclic Urea 49
TL;DR: Cyclic Urea 49 (CAS 153182-50-4) is a chemical compound with molecular formula C35H32F6N2O3 and molecular weight 642.23 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[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazepan-2-one
Also Known As: Cyclic Urea 49, 1,3-Diazepin-2-one deriv., J1.090.036K, 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis((3-(trifluoromethyl)phenyl)methyl)-, (4R,5S,6S,7R)-, (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(trifluoromethyl)phenyl]methyl})-1,3-diazepan-2-one
| Molecular Formula | C35H32F6N2O3 |
|---|---|
| Molecular Weight | 642.23 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 642.2317 |
| Heavy Atoms | 46 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 153182-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)C(F)(F)F)CC4=CC(=CC=C4)C(F)(F)F)CC5=CC=CC=C5)O)O |
| InChIKey | DVAMPQUOHXJGKH-ZRTHHSRSSA-N |
Product Overview
Cyclic Urea 49 (CAS 153182-50-4), with molecular formula C35H32F6N2O3 and molecular weight 642.23 g/mol. IUPAC: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazepan-2-one.
Chemical Property Profile of Cyclic Urea 49
Property Insights of Cyclic Urea 49
The XLogP value of 7.1 indicates that Cyclic Urea 49 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 49. Following Lipinski's Rule of Five, Cyclic Urea 49 has 2 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 49?
The CAS number of Cyclic Urea 49 is 153182-50-4.
What is the molecular formula of Cyclic Urea 49?
The molecular formula of Cyclic Urea 49 is C35H32F6N2O3.
What is the molecular weight of Cyclic Urea 49?
The molecular weight of Cyclic Urea 49 is 642.23 g/mol.
Where can I buy Cyclic Urea 49?
You can request a quote for Cyclic Urea 49 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic Urea 49?
Yes, KEHONG BIO provides custom synthesis services for Cyclic Urea 49 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.