RefChem:272882
TL;DR: RefChem:272882 (CAS 20339-55-3) is a chemical compound with molecular formula C25H22ClN5O4 and molecular weight 491.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]ethyl benzoate
Also Known As: 2-(4-((2-Chloro-4-nitrophenyl)azo)-N-(2-cyanoethyl)-3-methylanilino)ethyl benzoate, 2-[{4-[(2-Chloro-4-nitrophenyl)diazenyl]-3-methylphenyl}(2-cyanoethyl)amino]ethyl benzoate, 2-[4-(2-Chloro-4-Nitrophenyl)diazenyl-n-(2-cyanoethyl)-3-methylanilino]ethyl benzoate, 2-[4-[(2-Chloro-4-nitrophenyl )azo]-N-(2-cyanoethyl )-3-methylanilino]ethyl benzoate, 2-[4-[(2-CHLORO-4-NITROPHENYL)AZO]-N-(2-CYANOETHYL)-3-METHYLANILINO]ETHYL BENZOATE
| Molecular Formula | C25H22ClN5O4 |
|---|---|
| Molecular Weight | 491.14 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.13602 |
| Heavy Atoms | 35 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 20339-55-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C2=CC=CC=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | WHPIKYRFNMHMKN-UHFFFAOYSA-N |
Product Overview
RefChem:272882 (CAS 20339-55-3), with molecular formula C25H22ClN5O4 and molecular weight 491.14 g/mol. IUPAC: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]ethyl benzoate.
Chemical Property Profile of RefChem:272882
Property Insights of RefChem:272882
The XLogP value of 5.9 indicates that RefChem:272882 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:272882. Following Lipinski's Rule of Five, RefChem:272882 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:272882?
The CAS number of RefChem:272882 is 20339-55-3.
What is the molecular formula of RefChem:272882?
The molecular formula of RefChem:272882 is C25H22ClN5O4.
What is the molecular weight of RefChem:272882?
The molecular weight of RefChem:272882 is 491.14 g/mol.
Where can I buy RefChem:272882?
You can request a quote for RefChem:272882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272882?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.