RefChem:321567
TL;DR: RefChem:321567 (CAS 104816-29-7) is a chemical compound with molecular formula C17H24ClN3O6 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2-chloroacetyl)amino]benzoyl]amino]ethyl-diethylazanium;2-hydroxy-2-oxoacetate
Also Known As: Benzamide, 4-((chloroacetyl)amino)-N-(2-(diethylamino)ethyl)-, ethanedioate (1:1), 4-((Chloroacetyl)amino)-N-(2-(diethylamino)ethyl)benzamide ethanedioate (1:1), 4-[(chloroacetyl)amino]-n-[2-(diethylamino)ethyl]benzamide ethanedioate, 2-[[4-[(2-chloroacetyl)amino]benzoyl]amino]ethyl-diethylazanium; 2-hydroxy-2-oxoacetate, 2-[4-(2-Chloroacetamido)benzamido]-N,N-diethylethan-1-aminium hydrogen ethanedioate
| Molecular Formula | C17H24ClN3O6 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | -1.66 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.13538 |
| Heavy Atoms | 27 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 104816-29-7 |
|---|---|
| SMILES | CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCl.C(=O)(C(=O)[O-])O |
| InChIKey | MOUWFHYXDXUHEX-UHFFFAOYSA-N |
Product Overview
RefChem:321567 (CAS 104816-29-7), with molecular formula C17H24ClN3O6 and molecular weight 401.14 g/mol. IUPAC: 2-[[4-[(2-chloroacetyl)amino]benzoyl]amino]ethyl-diethylazanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:321567
Property Insights of RefChem:321567
The XLogP value of -1.66 indicates that RefChem:321567 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:321567 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:321567 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:321567?
The CAS number of RefChem:321567 is 104816-29-7.
What is the molecular formula of RefChem:321567?
The molecular formula of RefChem:321567 is C17H24ClN3O6.
What is the molecular weight of RefChem:321567?
The molecular weight of RefChem:321567 is 401.14 g/mol.
Where can I buy RefChem:321567?
You can request a quote for RefChem:321567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321567?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.