RefChem:138227
TL;DR: RefChem:138227 (CAS 68413-42-3) is a chemical compound with molecular formula C21H23ClN4O6 and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-acetyloxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
Also Known As: 2,2'-((4-((2-Chloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bisethyl diacetate, Aniline, 4-(2-chloro-4-nitrophenylazo)-3-methyl-N,N-di-beta-acetoxyethyl-, 2,2'-[[4-[ azo]-3-methylphenyl]imino]bisethyldiacetate, Ethanol, 2,2'-((4-((2-chloro-4-nitrophenyl)azo)-3-methylphenyl)imino)bis-, diacetate (ester), Ethanol, 2,2'-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bis-, diacetate (ester)
| Molecular Formula | C21H23ClN4O6 |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 462.1306 |
| Heavy Atoms | 32 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 68413-42-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | BDAQFSJXVZDVGC-UHFFFAOYSA-N |
Product Overview
RefChem:138227 (CAS 68413-42-3), with molecular formula C21H23ClN4O6 and molecular weight 462.13 g/mol. IUPAC: 2-[N-(2-acetyloxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate.
Chemical Property Profile of RefChem:138227
Property Insights of RefChem:138227
The XLogP value of 4.4 indicates that RefChem:138227 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:138227. Following Lipinski's Rule of Five, RefChem:138227 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138227?
The CAS number of RefChem:138227 is 68413-42-3.
What is the molecular formula of RefChem:138227?
The molecular formula of RefChem:138227 is C21H23ClN4O6.
What is the molecular weight of RefChem:138227?
The molecular weight of RefChem:138227 is 462.13 g/mol.
Where can I buy RefChem:138227?
You can request a quote for RefChem:138227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138227?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.