RefChem:321677
TL;DR: RefChem:321677 (CAS 30194-71-9) is a chemical compound with molecular formula C21H28Cl4N4O3 and molecular weight 524.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azanium trichloride
Also Known As: Benzamide, 4-amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-2-chloro-, trihydrochloride, 4-Amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-2-chlorobenzamide 3HCl, (4-Amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azaniumtrichloride, BENZAMIDE, 4-AMINO-N-(2-(4-(1,3-BENZODIOXOL-5-YLMETHYL)-1-PIPERAZINYL)ETHYL)-2-C, (4-amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azanium trichloride
| Molecular Formula | C21H28Cl4N4O3 |
|---|---|
| Molecular Weight | 524.09 g/mol |
| LogP | -10.65 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.0886 |
| Heavy Atoms | 32 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 30194-71-9 |
|---|---|
| SMILES | C1C[NH+](CC[NH+]1CC[NH2+]C(=O)C2=C(C=C(C=C2)N)Cl)CC3=CC4=C(C=C3)OCO4.[Cl-].[Cl-].[Cl-] |
| InChIKey | ZKJJCBNOLRYVGC-UHFFFAOYSA-N |
Product Overview
RefChem:321677 (CAS 30194-71-9), with molecular formula C21H28Cl4N4O3 and molecular weight 524.09 g/mol. IUPAC: (4-amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azanium trichloride.
Chemical Property Profile of RefChem:321677
Property Insights of RefChem:321677
The XLogP value of -10.65 indicates that RefChem:321677 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321677. Following Lipinski's Rule of Five, RefChem:321677 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:321677?
The CAS number of RefChem:321677 is 30194-71-9.
What is the molecular formula of RefChem:321677?
The molecular formula of RefChem:321677 is C21H28Cl4N4O3.
What is the molecular weight of RefChem:321677?
The molecular weight of RefChem:321677 is 524.09 g/mol.
Where can I buy RefChem:321677?
You can request a quote for RefChem:321677 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321677?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321677 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.