RefChem:1077986
TL;DR: RefChem:1077986 (CAS 112884-95-4) is a chemical compound with molecular formula C25H30ClN3O7 and molecular weight 519.17725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-chloro-2-methoxy-N-[[4-(1-phenylethyl)morpholin-2-yl]methyl]benzamide;(E)-but-2-enedioic acid
Also Known As: C21H26ClN3O3.C4H4O4.1/2H2O, Benzamide, 4-amino-5-chloro-2-methoxy-N-((4-(1-phenylethyl)-2-morpholinyl)methyl)-, (E)-2-butenedioate, hydrate (2:2:1), C21-H26-Cl-N3-O3.C4-H4-O4.1/2H2-O, 4-amino-5-chloro-2-methoxy-N-[[4-(1-phenylethyl)morpholin-2-yl]methyl]benzamide; (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C25H30ClN3O7 |
| Molecular Weight | 519.17725 g/mol |
| XLogP | 2.8344 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.17725 Da |
| Heavy Atoms | 36 |
| Complexity | 622.0 |
| SMILES | CC(C1=CC=CC=C1)N2CCOC(C2)CNC(=O)C3=CC(=C(C=C3OC)N)Cl.C(=C/C(=O)O)\C(=O)O |
| InChIKey | JBVROMGWUWWQKD-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1077986
Property Insights of RefChem:1077986
The XLogP value of 2.8344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1077986. The TPSA of 151.0 Ų indicates high polarity, suggesting RefChem:1077986 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077986 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1077986?
The CAS number of RefChem:1077986 is 112884-95-4.
What is the molecular formula of RefChem:1077986?
The molecular formula of RefChem:1077986 is C25H30ClN3O7.
What is the molecular weight of RefChem:1077986?
The molecular weight of RefChem:1077986 is 519.17725 g/mol.
Where can I buy RefChem:1077986?
You can request a quote for RefChem:1077986 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1077986?
Yes, CoreyChem provides custom synthesis services for RefChem:1077986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.