AR-1I8736
TL;DR: AR-1I8736 (CAS 63745-97-1) is a chemical compound with molecular formula C17H14Cl4N4O4 and molecular weight 477.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-chloro-5-nitroanilino)-3-[(2,4,6-trichlorophenyl)diazenyl]propanoate
Also Known As: Propanoic acid, 3-((2-chloro-5-nitrophenyl)amino)-3-((2,4,6-trichlorophenyl)hydrazono)-, ethyl ester, ethyl 3-(2-chloro-5-nitroanilino)-3-[(2,4,6-trichlorophenyl)diazenyl]propanoate, ethyl 3-[(2-chloro-5-nitrophenyl)amino]-3-[(e)-(2,4,6-trichlorophenyl)diazenyl]propanoate, Ethyl 3-[(2-chloro-5-nitro-phenyl)amino]-3-(2,4,6-trichlorophenyl)diazenyl-propanoate, Propanoic acid, 3-((2-chloro-5-nitrophenyl)imino)-3-((2,4,6-trichlorophenyl)hydrazono)-, ethyl ester
| Molecular Formula | C17H14Cl4N4O4 |
|---|---|
| Molecular Weight | 477.98 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.97397 |
| Heavy Atoms | 29 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 63745-97-1 |
|---|---|
| SMILES | CCOC(=O)CC(NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N=NC2=C(C=C(C=C2Cl)Cl)Cl |
| InChIKey | LFJVHAVMXLRZTN-UHFFFAOYSA-N |
Product Overview
AR-1I8736 (CAS 63745-97-1), with molecular formula C17H14Cl4N4O4 and molecular weight 477.98 g/mol. IUPAC: ethyl 3-(2-chloro-5-nitroanilino)-3-[(2,4,6-trichlorophenyl)diazenyl]propanoate.
Chemical Property Profile of AR-1I8736
Property Insights of AR-1I8736
The XLogP value of 6.9 indicates that AR-1I8736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AR-1I8736. Following Lipinski's Rule of Five, AR-1I8736 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AR-1I8736?
The CAS number of AR-1I8736 is 63745-97-1.
What is the molecular formula of AR-1I8736?
The molecular formula of AR-1I8736 is C17H14Cl4N4O4.
What is the molecular weight of AR-1I8736?
The molecular weight of AR-1I8736 is 477.98 g/mol.
Where can I buy AR-1I8736?
You can request a quote for AR-1I8736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-1I8736?
Yes, KEHONG BIO provides custom synthesis services for AR-1I8736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.