RefChem:817932
TL;DR: RefChem:817932 (CAS 68992-00-7) is a chemical compound with molecular formula C24H28N6O10 and molecular weight 560.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-N-(3-methoxy-3-oxopropyl)-5-(propanoylamino)anilino]propanoate
Also Known As: 4-ethyloctanedioyl dichloride, .beta.-Alanine, N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester, 3,3'-((4-((2,4-Dinitrophenyl)azo)-5-((ethylcarbonyl)amino)-2-methoxyphenyl)imino)bis(propionic acid), dimethyl ester, beta-Alanine, N-(4-((2,4-dinitrophenyl)azo)-2-methoxy-5-((1-oxopropyl)amino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester, beta-Alanine, N-(4-(2-(2,4-dinitrophenyl)diazenyl)-2-methoxy-5-((1-oxopropyl)amino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
| Molecular Formula | C24H28N6O10 |
|---|---|
| Molecular Weight | 560.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 560.1867 |
| Heavy Atoms | 40 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 68992-00-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC(=O)OC)CCC(=O)OC |
| InChIKey | DQHAOOGYAZZHJJ-UHFFFAOYSA-N |
Product Overview
RefChem:817932 (CAS 68992-00-7), with molecular formula C24H28N6O10 and molecular weight 560.19 g/mol. IUPAC: methyl 3-[4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-N-(3-methoxy-3-oxopropyl)-5-(propanoylamino)anilino]propanoate.
Chemical Property Profile of RefChem:817932
Property Insights of RefChem:817932
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:817932. The TPSA of 211.0 Ų indicates high polarity, suggesting RefChem:817932 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:817932 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:817932?
The CAS number of RefChem:817932 is 68992-00-7.
What is the molecular formula of RefChem:817932?
The molecular formula of RefChem:817932 is C24H28N6O10.
What is the molecular weight of RefChem:817932?
The molecular weight of RefChem:817932 is 560.19 g/mol.
Where can I buy RefChem:817932?
You can request a quote for RefChem:817932 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:817932?
Yes, KEHONG BIO provides custom synthesis services for RefChem:817932 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.