RefChem:567202
TL;DR: RefChem:567202 (CAS 42861-47-2) is a chemical compound with molecular formula C23H27BrN6O9 and molecular weight 610.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-2-methoxyanilino]propanoate
Also Known As: 1,1,2-trichloro-but-1-ene, .beta.-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-ethyl-, 2-methoxyethyl ester, beta-Alanine, N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester, beta-Alanine, N-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester, N-Ethyl-N-(4-((2-bromo-4,6-dinitrophenyl)azo)-5-(acetylamino)-2-methoxyphenyl)-beta-alanine 2-methoxyethyl ester
| Molecular Formula | C23H27BrN6O9 |
|---|---|
| Molecular Weight | 610.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 610.1023 |
| Heavy Atoms | 39 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 42861-47-2 |
|---|---|
| SMILES | CCN(CCC(=O)OCCOC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | LOBGJBGIERWYHR-UHFFFAOYSA-N |
Product Overview
RefChem:567202 (CAS 42861-47-2), with molecular formula C23H27BrN6O9 and molecular weight 610.10 g/mol. IUPAC: 2-methoxyethyl 3-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-2-methoxyanilino]propanoate.
Chemical Property Profile of RefChem:567202
Property Insights of RefChem:567202
The XLogP value of 3.4 indicates that RefChem:567202 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting RefChem:567202 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567202 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:567202?
The CAS number of RefChem:567202 is 42861-47-2.
What is the molecular formula of RefChem:567202?
The molecular formula of RefChem:567202 is C23H27BrN6O9.
What is the molecular weight of RefChem:567202?
The molecular weight of RefChem:567202 is 610.10 g/mol.
Where can I buy RefChem:567202?
You can request a quote for RefChem:567202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567202?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.