Cyclic Urea 3
TL;DR: Cyclic Urea 3 (CAS 153181-38-5) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 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-dimethyl-1,3-diazepan-2-one
Also Known As: Cyclic Urea 3, 1,3-Diazepin-2-one deriv., (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one, 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-dimethyl-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-, (4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-1,3-dimethyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 153181-38-5 |
|---|---|
| SMILES | CN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3 |
| InChIKey | AJVZFVAMCBQKPD-ZRNYENFQSA-N |
Product Overview
Cyclic Urea 3 (CAS 153181-38-5), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one.
Chemical Property Profile of Cyclic Urea 3
Property Insights of Cyclic Urea 3
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclic Urea 3. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclic Urea 3. Following Lipinski's Rule of Five, Cyclic Urea 3 has 2 hydrogen bond donor(s) and 3 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 3?
The CAS number of Cyclic Urea 3 is 153181-38-5.
What is the molecular formula of Cyclic Urea 3?
The molecular formula of Cyclic Urea 3 is C21H26N2O3.
What is the molecular weight of Cyclic Urea 3?
The molecular weight of Cyclic Urea 3 is 354.19 g/mol.
Where can I buy Cyclic Urea 3?
You can request a quote for Cyclic Urea 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic Urea 3?
Yes, KEHONG BIO provides custom synthesis services for Cyclic Urea 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.