RefChem:321654
TL;DR: RefChem:321654 (CAS 112885-00-4) is a chemical compound with molecular formula C23H25ClN4O7 and molecular weight 504.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-chloro-N-[[4-[(3-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;oxalic acid
Also Known As: Benzamide, 4-amino-5-chloro-N-((4-((3-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-methoxy-, ethanedioate, hydrate (1:1:1), 4-amino-5-chloro-N-[[4-[(3-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide; oxalic acid, Oxalic acid--4-amino-5-chloro-N-({4-[(3-cyanophenyl)methyl]morpholin-2-yl}methyl)-2-methoxybenzene-1-carboximidic acid (1/1), RefChem:321654
| Molecular Formula | C23H25ClN4O7 |
|---|---|
| Molecular Weight | 504.14 g/mol |
| LogP | 1.58888 |
| Topological Polar Surface Area | 175.21 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.14117 |
| Heavy Atoms | 35 |
| Complexity | 1107.534 |
Chemical Identifiers
| CAS Number | 112885-00-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC(=CC=C3)C#N)Cl)N.C(=O)(C(=O)O)O |
Product Overview
RefChem:321654 (CAS 112885-00-4), with molecular formula C23H25ClN4O7 and molecular weight 504.14 g/mol. IUPAC: 4-amino-5-chloro-N-[[4-[(3-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;oxalic acid.
Chemical Property Profile of RefChem:321654
Property Insights of RefChem:321654
The XLogP value of 1.58888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321654. The TPSA of 175.21 Ų indicates high polarity, suggesting RefChem:321654 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:321654 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:321654?
The CAS number of RefChem:321654 is 112885-00-4.
What is the molecular formula of RefChem:321654?
The molecular formula of RefChem:321654 is C23H25ClN4O7.
What is the molecular weight of RefChem:321654?
The molecular weight of RefChem:321654 is 504.14 g/mol.
Where can I buy RefChem:321654?
You can request a quote for RefChem:321654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321654?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.