RefChem:442809
TL;DR: RefChem:442809 (CAS 1833-72-3) is a chemical compound with molecular formula C18H14ClN5O6 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-5-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-(3-chlorophenyl)-5-[(4-methoxy-2-nitrophenyl)azo]-3-methylbarbituric acid, 1-(3-Chlorophenyl)-5-((4-methoxy-2-nitrophenyl)azo)-3-methylbarbituric acid, 1-(3-chlorophenyl)-5-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(3-chlorophenyl)-5-[(4-methoxy-2-nitrophenyl)azo]-3-methyl-, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(3-chlorophenyl)-5-((4-methoxy-2-nitrophenyl)azo)-3-methyl-
| Molecular Formula | C18H14ClN5O6 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.06326 |
| Heavy Atoms | 30 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 1833-72-3 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)N=NC3=C(C=C(C=C3)OC)[N+](=O)[O-] |
| InChIKey | MRUWXPLBWROTCB-UHFFFAOYSA-N |
Product Overview
RefChem:442809 (CAS 1833-72-3), with molecular formula C18H14ClN5O6 and molecular weight 431.06 g/mol. IUPAC: 1-(3-chlorophenyl)-5-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of RefChem:442809
Property Insights of RefChem:442809
The XLogP value of 3.2 indicates that RefChem:442809 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:442809. Following Lipinski's Rule of Five, RefChem:442809 has 0 hydrogen bond donor(s) and 8 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 RefChem:442809?
The CAS number of RefChem:442809 is 1833-72-3.
What is the molecular formula of RefChem:442809?
The molecular formula of RefChem:442809 is C18H14ClN5O6.
What is the molecular weight of RefChem:442809?
The molecular weight of RefChem:442809 is 431.06 g/mol.
Where can I buy RefChem:442809?
You can request a quote for RefChem:442809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:442809?
Yes, KEHONG BIO provides custom synthesis services for RefChem:442809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.