RefChem:1071214
TL;DR: RefChem:1071214 (CAS 77801-43-5) is a chemical compound with molecular formula C26H27N3O9 and molecular weight 525.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-4-nitrophenyl)-2-morpholin-4-yl-N-prop-2-enylacetamide;(E)-but-2-enedioic acid
Also Known As: N-Allyl-2'-benzoyl-4'-nitro-2-morpholinoacetanilide maleate, Maleate acide de N-allyl benzoyl-2' nitro-4' morpholino-2 acetanilide [French], 4-Morpholineacetamide, N-(2-benzoyl-4-nitrophenyl)-N-2-propenyl-, (Z)-2-butenedioate (1:1), Maleate acide de N-allyl benzoyl-2' nitro-4' morpholino-2 acetanilide, N-(2-Benzoyl-4-nitrophenyl)-N-2-propenyl-4-morpholineacetamide (Z)-2-butenedioate (1:1)
| Molecular Formula | C26H27N3O9 |
|---|---|
| Molecular Weight | 525.17 g/mol |
| LogP | 2.3888 |
| Topological Polar Surface Area | 167.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 525.17474 |
| Heavy Atoms | 38 |
| Complexity | 1189.6996 |
Chemical Identifiers
| CAS Number | 77801-43-5 |
|---|---|
| SMILES | C=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:1071214 (CAS 77801-43-5), with molecular formula C26H27N3O9 and molecular weight 525.17 g/mol. IUPAC: N-(2-benzoyl-4-nitrophenyl)-2-morpholin-4-yl-N-prop-2-enylacetamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1071214
Property Insights of RefChem:1071214
The XLogP value of 2.3888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071214. The TPSA of 167.59 Ų indicates high polarity, suggesting RefChem:1071214 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071214 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:1071214?
The CAS number of RefChem:1071214 is 77801-43-5.
What is the molecular formula of RefChem:1071214?
The molecular formula of RefChem:1071214 is C26H27N3O9.
What is the molecular weight of RefChem:1071214?
The molecular weight of RefChem:1071214 is 525.17 g/mol.
Where can I buy RefChem:1071214?
You can request a quote for RefChem:1071214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071214?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.