RefChem:1077985
TL;DR: RefChem:1077985 (CAS 112885-08-2) is a chemical compound with molecular formula C54H58Cl2F6N6O18 and molecular weight 1262.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide);tris((E)-but-2-enedioic acid)
Also Known As: C42H46Cl2F6N6O6.3C4H4O4.1/2H2O, C42-H46-Cl2-F6-N6-O6.3C4-H4-O4.1/2H2-O, Benzamide, 4-amino-5-chloro-2-methoxy-N-((4-((3-(trifluoromethyl)phenyl)methyl)-2-morpholinyl)methyl)-, (E)-2-butenedioate, hydrate (2:3:1), 4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide; (E)-but-2-enedioic acid, RefChem:1077985
| Molecular Formula | C54H58Cl2F6N6O18 |
|---|---|
| Molecular Weight | 1262.31 g/mol |
| LogP | 6.2962 |
| Topological Polar Surface Area | 377.44 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 1262.3088 |
| Heavy Atoms | 86 |
| Complexity | 2813.382 |
Chemical Identifiers
| CAS Number | 112885-08-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NCC2OCCN(C2)CC3=CC(=CC=C3)C(F)(F)F)Cl)N.COC1=CC(=C(C=C1C(=O)NCC2OCCN(C2)CC3=CC(=CC=C3)C(F)(F)F)Cl)N.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077985 (CAS 112885-08-2), with molecular formula C54H58Cl2F6N6O18 and molecular weight 1262.31 g/mol. IUPAC: bis(4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide);tris((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1077985
Property Insights of RefChem:1077985
The XLogP value of 6.2962 indicates that RefChem:1077985 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 377.44 Ų indicates high polarity, suggesting RefChem:1077985 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077985 has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1077985?
The CAS number of RefChem:1077985 is 112885-08-2.
What is the molecular formula of RefChem:1077985?
The molecular formula of RefChem:1077985 is C54H58Cl2F6N6O18.
What is the molecular weight of RefChem:1077985?
The molecular weight of RefChem:1077985 is 1262.31 g/mol.
Where can I buy RefChem:1077985?
You can request a quote for RefChem:1077985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077985?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.