RefChem:1077992
TL;DR: RefChem:1077992 (CAS 131322-36-6) is a chemical compound with molecular formula C28H31Cl2N3O11 and molecular weight 655.13354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;bis((E)-but-2-enedioic acid)
Also Known As: Benzamide, 4-amino-5-chloro-N-((4-((4-chlorophenyl)methyl)-2-morpholinyl)methyl)-2-methoxy-, (E)-2-butenedioate (1:2), 4-amino-5-chloro-N-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide; (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C28H31Cl2N3O11 |
| Molecular Weight | 655.13354 g/mol |
| XLogP | 2.6386 |
| Topological Polar Surface Area (TPSA) | 226.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 655.13354 Da |
| Heavy Atoms | 44 |
| Complexity | 624.0 |
| SMILES | COC1=CC(=C(C=C1C(=O)NCC2OCCN(C2)CC3=CC=C(C=C3)Cl)Cl)N.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | LBNCXUYIKYFTON-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1077992
Property Insights of RefChem:1077992
The XLogP value of 2.6386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1077992. The TPSA of 226.0 Ų indicates high polarity, suggesting RefChem:1077992 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077992 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1077992?
The CAS number of RefChem:1077992 is 131322-36-6.
What is the molecular formula of RefChem:1077992?
The molecular formula of RefChem:1077992 is C28H31Cl2N3O11.
What is the molecular weight of RefChem:1077992?
The molecular weight of RefChem:1077992 is 655.13354 g/mol.
Where can I buy RefChem:1077992?
You can request a quote for RefChem:1077992 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1077992?
Yes, CoreyChem provides custom synthesis services for RefChem:1077992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.