RefChem:567198
TL;DR: RefChem:567198 (CAS 62072-81-5) is a chemical compound with molecular formula C23H26N6O10 and molecular weight 546.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-N-(3-methoxy-3-oxopropyl)anilino]propanoate
Also Known As: methyln-[5-4-[azo]-2-methoxyphenyl]-n-beta-alaninate, .beta.-Alanine, N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester, 3,3'-((4-((2,4-Dinitrophenyl)azo)-5-((methylcarbonyl)amino)-2-methoxyphenyl)imino)bis(propanoic acid), dimethyl ester, 3,3'-((4-((2,4-Dinitrophenyl)azo)-5-(acetylamino)-2-methoxyphenyl)imino)bis(propanoic acid), dimethyl ester, beta-Alanine, N-(5-(acetylamino)-4-((2,4-dinitrophenyl)azo)-2-methoxyphenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
| Molecular Formula | C23H26N6O10 |
|---|---|
| Molecular Weight | 546.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 546.171 |
| Heavy Atoms | 39 |
| Complexity | 887.0 |
Chemical Identifiers
| CAS Number | 62072-81-5 |
|---|---|
| SMILES | CC(=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 | PRXVOZRQJNSLIB-UHFFFAOYSA-N |
Product Overview
RefChem:567198 (CAS 62072-81-5), with molecular formula C23H26N6O10 and molecular weight 546.17 g/mol. IUPAC: methyl 3-[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-N-(3-methoxy-3-oxopropyl)anilino]propanoate.
Chemical Property Profile of RefChem:567198
Property Insights of RefChem:567198
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:567198. The TPSA of 211.0 Ų indicates high polarity, suggesting RefChem:567198 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567198 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:567198?
The CAS number of RefChem:567198 is 62072-81-5.
What is the molecular formula of RefChem:567198?
The molecular formula of RefChem:567198 is C23H26N6O10.
What is the molecular weight of RefChem:567198?
The molecular weight of RefChem:567198 is 546.17 g/mol.
Where can I buy RefChem:567198?
You can request a quote for RefChem:567198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567198?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.