2R-0158
TL;DR: 2R-0158 (CAS 477889-07-9) is a chemical compound with molecular formula C22H16Cl4N2O5 and molecular weight 527.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-bis[2-(3,4-dichlorophenyl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 2R-0158, 5,5-bis[2-(3,4-dichlorophenyl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5,5-bis[2-(3,4-dichlorophenyl)-2-oxoethyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C22H16Cl4N2O5 |
|---|---|
| Molecular Weight | 527.98 g/mol |
| LogP | 5.1828 |
| Topological Polar Surface Area | 91.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.9813 |
| Heavy Atoms | 33 |
| Complexity | 1121.7675 |
Chemical Identifiers
| CAS Number | 477889-07-9 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C)(CC(=O)C2=CC(=C(C=C2)Cl)Cl)CC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
2R-0158 (CAS 477889-07-9), with molecular formula C22H16Cl4N2O5 and molecular weight 527.98 g/mol. IUPAC: 5,5-bis[2-(3,4-dichlorophenyl)-2-oxoethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 2R-0158
Property Insights of 2R-0158
The XLogP value of 5.1828 indicates that 2R-0158 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2R-0158. Following Lipinski's Rule of Five, 2R-0158 has 0 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 2R-0158?
The CAS number of 2R-0158 is 477889-07-9.
What is the molecular formula of 2R-0158?
The molecular formula of 2R-0158 is C22H16Cl4N2O5.
What is the molecular weight of 2R-0158?
The molecular weight of 2R-0158 is 527.98 g/mol.
Where can I buy 2R-0158?
You can request a quote for 2R-0158 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-0158?
Yes, KEHONG BIO provides custom synthesis services for 2R-0158 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.