RefChem:567173
TL;DR: RefChem:567173 (CAS 68134-40-7) is a chemical compound with molecular formula C24H28ClN5O7 and molecular weight 533.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(3-ethoxy-3-oxopropyl)anilino]propanoate
Also Known As: 3-Acetylamino-4-(2-chloro-4-nitrophenylazo)-N,N-bis(beta-ethoxycarbonylethyl)aniline, .beta.-Alanine, N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(3-ethoxy-3-oxopropyl)-, ethyl ester, beta-Alanine, N-(3-(acetylamino)-4-((2-chloro-4-nitrophenyl)azo)phenyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester, beta-Alanine, N-(3-(acetylamino)-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester, ETHYL N-[3-(ACETYLAMINO)-4-[(2-CHLORO-4-NITROPHENYL)AZO]PHENYL]-N-(3-ETHOXY-3-OXOPROPYL)-BETA-ALANINATE
| Molecular Formula | C24H28ClN5O7 |
|---|---|
| Molecular Weight | 533.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 533.1677 |
| Heavy Atoms | 37 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 68134-40-7 |
|---|---|
| SMILES | CCOC(=O)CCN(CCC(=O)OCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C |
| InChIKey | UBJAEZNYIDXOAJ-UHFFFAOYSA-N |
Product Overview
RefChem:567173 (CAS 68134-40-7), with molecular formula C24H28ClN5O7 and molecular weight 533.17 g/mol. IUPAC: ethyl 3-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(3-ethoxy-3-oxopropyl)anilino]propanoate.
Chemical Property Profile of RefChem:567173
Property Insights of RefChem:567173
The XLogP value of 3.8 indicates that RefChem:567173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:567173 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567173 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:567173?
The CAS number of RefChem:567173 is 68134-40-7.
What is the molecular formula of RefChem:567173?
The molecular formula of RefChem:567173 is C24H28ClN5O7.
What is the molecular weight of RefChem:567173?
The molecular weight of RefChem:567173 is 533.17 g/mol.
Where can I buy RefChem:567173?
You can request a quote for RefChem:567173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567173?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.