RefChem:1077993
TL;DR: RefChem:1077993 (CAS 112885-35-5) is a chemical compound with molecular formula C25H27ClN4O7 and molecular weight 530.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-N-[[4-[(4-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;(E)-but-2-enedioic acid
Also Known As: Benzamide, 4-amino-5-chloro-N-((4-((4-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-methoxy-, (E)-2-butenedioate (1:1), 4-amino-5-chloro-N-[[4-[(4-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide; (E)-but-2-enedioic acid, RefChem:1077993
| Molecular Formula | C25H27ClN4O7 |
|---|---|
| Molecular Weight | 530.16 g/mol |
| LogP | 2.14508 |
| Topological Polar Surface Area | 175.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.1568 |
| Heavy Atoms | 37 |
| Complexity | 1162.7981 |
Chemical Identifiers
| CAS Number | 112885-35-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)C#N)Cl)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077993 (CAS 112885-35-5), with molecular formula C25H27ClN4O7 and molecular weight 530.16 g/mol. IUPAC: 4-amino-5-chloro-N-[[4-[(4-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1077993
Property Insights of RefChem:1077993
The XLogP value of 2.14508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1077993. The TPSA of 175.21 Ų indicates high polarity, suggesting RefChem:1077993 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077993 has 4 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:1077993?
The CAS number of RefChem:1077993 is 112885-35-5.
What is the molecular formula of RefChem:1077993?
The molecular formula of RefChem:1077993 is C25H27ClN4O7.
What is the molecular weight of RefChem:1077993?
The molecular weight of RefChem:1077993 is 530.16 g/mol.
Where can I buy RefChem:1077993?
You can request a quote for RefChem:1077993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077993?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.