RefChem:591967
TL;DR: RefChem:591967 (CAS 67923-46-0) is a chemical compound with molecular formula C21H22Br2N4O6 and molecular weight 583.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-acetyloxyethyl)-4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
Also Known As: 2,2'-((4-((2,6-Dibromo-4-nitrophenyl)azo)-3-methylphenyl)imino)bisethanol, diacetate (ester), 2,2'-[[4-[ azo]-3-methylphenyl]imino]bisethyldiacetate, 2,2'-[[4-[(2,6-Dibromo-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethyl diacetate, Ethanol, 2,2'-((4-((2,6-dibromo-4-nitrophenyl)azo)-3-methylphenyl)imino)bis-, diacetate (ester), Ethanol, 2,2'-((4-(2-(2,6-dibromo-4-nitrophenyl)diazenyl)-3-methylphenyl)imino)bis-, 1,1'-diacetate
| Molecular Formula | C21H22Br2N4O6 |
|---|---|
| Molecular Weight | 583.99 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 585.9886 |
| Heavy Atoms | 33 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 67923-46-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br |
| InChIKey | IICBEPFOXBFUSV-UHFFFAOYSA-N |
Product Overview
RefChem:591967 (CAS 67923-46-0), with molecular formula C21H22Br2N4O6 and molecular weight 583.99 g/mol. IUPAC: 2-[N-(2-acetyloxyethyl)-4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate.
Chemical Property Profile of RefChem:591967
Property Insights of RefChem:591967
The XLogP value of 5.2 indicates that RefChem:591967 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:591967. Following Lipinski's Rule of Five, RefChem:591967 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:591967?
The CAS number of RefChem:591967 is 67923-46-0.
What is the molecular formula of RefChem:591967?
The molecular formula of RefChem:591967 is C21H22Br2N4O6.
What is the molecular weight of RefChem:591967?
The molecular weight of RefChem:591967 is 583.99 g/mol.
Where can I buy RefChem:591967?
You can request a quote for RefChem:591967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:591967?
Yes, KEHONG BIO provides custom synthesis services for RefChem:591967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.