RefChem:567200
TL;DR: RefChem:567200 (CAS 67905-16-2) is a chemical compound with molecular formula C23H25BrN6O10 and molecular weight 624.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate
Also Known As: .beta.-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-, methyl ester, beta-Alanine, N-(5-(acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-(2-(acetyloxy)ethyl)-, methyl ester, beta-Alanine, N-(5-(acetylamino)-4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-2-methoxyphenyl)-N-(2-(acetyloxy)ethyl)-, methyl ester, N-(5-Acetamido-4-((2-bromo-4,6-dinitrophenyl)azo)-2-methoxyphenyl)-N-(2-hydroxyethyl)-beta-alanine, methyl ester, acetate, METHYL N-[5-(ACETYLAMINO)-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-METHOXYPHENYL]-N-[2-(ACETOXY)ETHYL]BETA-ALANINATE
| Molecular Formula | C23H25BrN6O10 |
|---|---|
| Molecular Weight | 624.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.08154 |
| Heavy Atoms | 40 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 67905-16-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC(=O)OC)CCOC(=O)C |
| InChIKey | YEPMXIKNGPVWRP-UHFFFAOYSA-N |
Product Overview
RefChem:567200 (CAS 67905-16-2), with molecular formula C23H25BrN6O10 and molecular weight 624.08 g/mol. IUPAC: methyl 3-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate.
Chemical Property Profile of RefChem:567200
Property Insights of RefChem:567200
The XLogP value of 3.0 indicates that RefChem:567200 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting RefChem:567200 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567200 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:567200?
The CAS number of RefChem:567200 is 67905-16-2.
What is the molecular formula of RefChem:567200?
The molecular formula of RefChem:567200 is C23H25BrN6O10.
What is the molecular weight of RefChem:567200?
The molecular weight of RefChem:567200 is 624.08 g/mol.
Where can I buy RefChem:567200?
You can request a quote for RefChem:567200 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567200?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567200 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.