RefChem:561839
TL;DR: RefChem:561839 (CAS 69938-68-7) is a chemical compound with molecular formula C18H20ClN5O5 and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-2-methoxy-5-methylaniline
Also Known As: 4-[azo]-n,n-diethyl-5-methyl-o-anisidine, 4-[ azo]-N,N-diethyl-5-methyl-o-anisidine, 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethyl-5-methyl-o-anisidine, 2-Methyl-5-methoxy-4-(diethylamino)-2'-chloro-4',6'-dinitroazobenzene, 4-[(2-chloro-4,6-dinitrophenyl)azo]-N,N-diethyl-5-methyl-o-anisidine
| Molecular Formula | C18H20ClN5O5 |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.1153 |
| Heavy Atoms | 29 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 69938-68-7 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C(=C1)C)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC |
| InChIKey | BXFGUKZOMXCIDY-UHFFFAOYSA-N |
Product Overview
RefChem:561839 (CAS 69938-68-7), with molecular formula C18H20ClN5O5 and molecular weight 421.12 g/mol. IUPAC: 4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethyl-2-methoxy-5-methylaniline.
Chemical Property Profile of RefChem:561839
Property Insights of RefChem:561839
The XLogP value of 5.2 indicates that RefChem:561839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:561839. Following Lipinski's Rule of Five, RefChem:561839 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:561839?
The CAS number of RefChem:561839 is 69938-68-7.
What is the molecular formula of RefChem:561839?
The molecular formula of RefChem:561839 is C18H20ClN5O5.
What is the molecular weight of RefChem:561839?
The molecular weight of RefChem:561839 is 421.12 g/mol.
Where can I buy RefChem:561839?
You can request a quote for RefChem:561839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:561839?
Yes, KEHONG BIO provides custom synthesis services for RefChem:561839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.