RefChem:567172
TL;DR: RefChem:567172 (CAS 51248-73-8) is a chemical compound with molecular formula C23H25ClN6O6 and molecular weight 516.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 3-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanoate
Also Known As: .beta.-Alanine, N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl ester, 2-Methoxyethyl N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-n-(2-cyanoethyl)-beta-alaninate, 2-methoxyethyl 3-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanoate, beta-Alanine, N-(3-(acetylamino)-4-((2-chloro-4-nitrophenyl)azo)phenyl)-N-(2-cyanoethyl)-, 2-methoxyethyl ester, beta-Alanine, N-(3-(acetylamino)-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)-N-(2-cyanoethyl)-, 2-methoxyethyl ester
| Molecular Formula | C23H25ClN6O6 |
|---|---|
| Molecular Weight | 516.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 516.1524 |
| Heavy Atoms | 36 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 51248-73-8 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)N(CCC#N)CCC(=O)OCCOC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | KKDFDCUNVXQWKF-UHFFFAOYSA-N |
Product Overview
RefChem:567172 (CAS 51248-73-8), with molecular formula C23H25ClN6O6 and molecular weight 516.15 g/mol. IUPAC: 2-methoxyethyl 3-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanoate.
Chemical Property Profile of RefChem:567172
Property Insights of RefChem:567172
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:567172. The TPSA of 162.0 Ų indicates high polarity, suggesting RefChem:567172 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567172 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:567172?
The CAS number of RefChem:567172 is 51248-73-8.
What is the molecular formula of RefChem:567172?
The molecular formula of RefChem:567172 is C23H25ClN6O6.
What is the molecular weight of RefChem:567172?
The molecular weight of RefChem:567172 is 516.15 g/mol.
Where can I buy RefChem:567172?
You can request a quote for RefChem:567172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.