RefChem:1071215
TL;DR: RefChem:1071215 (CAS 77811-15-5) is a chemical compound with molecular formula C25H27N3O9 and molecular weight 513.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-4-nitrophenyl)-N-ethyl-2-morpholin-4-ylacetamide;(E)-but-2-enedioic acid
Also Known As: N-Ethyl-2'-benzoyl-4'-nitro-2-morpholinoacetanilide maleate, Maleate acide de N-ethyl benzoyl-2' nitro-4' morpholino-2 acetanilide [French], 4-Morpholineacetamide, N-(2-benzoyl-4-nitrophenyl)-N-ethyl-, (Z)-2-butenedioate (1:1), Maleate acide de N-ethyl benzoyl-2' nitro-4' morpholino-2 acetanilide, N-(2-Benzoyl-4-nitrophenyl)-N-ethyl-4-morpholineacetamide (Z)-2-butenedioate (1:1)
| Molecular Formula | C25H27N3O9 |
|---|---|
| Molecular Weight | 513.17 g/mol |
| LogP | 2.2227 |
| Topological Polar Surface Area | 167.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.17474 |
| Heavy Atoms | 37 |
| Complexity | 1143.2523 |
Chemical Identifiers
| CAS Number | 77811-15-5 |
|---|---|
| SMILES | CCN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2)C(=O)CN3CCOCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1071215 (CAS 77811-15-5), with molecular formula C25H27N3O9 and molecular weight 513.17 g/mol. IUPAC: N-(2-benzoyl-4-nitrophenyl)-N-ethyl-2-morpholin-4-ylacetamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1071215
Property Insights of RefChem:1071215
The XLogP value of 2.2227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071215. The TPSA of 167.59 Ų indicates high polarity, suggesting RefChem:1071215 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071215 has 2 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:1071215?
The CAS number of RefChem:1071215 is 77811-15-5.
What is the molecular formula of RefChem:1071215?
The molecular formula of RefChem:1071215 is C25H27N3O9.
What is the molecular weight of RefChem:1071215?
The molecular weight of RefChem:1071215 is 513.17 g/mol.
Where can I buy RefChem:1071215?
You can request a quote for RefChem:1071215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071215?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.