RefChem:322567
TL;DR: RefChem:322567 (CAS 100321-54-8) is a chemical compound with molecular formula C22H32ClN3O and molecular weight 389.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-aminobenzoyl)-(1-phenylethyl)amino]propyl-diethylazanium chloride
Also Known As: Benzamide, p-amino-N-(3-(diethylamino)propyl)-N-(alpha-methylbenzyl)-, hydrochloride, p-Amino-N-(3-(diethylamino)propyl)-N-(alpha-methylbenzyl)benzamide hydrochloride, 3-[(4-aminobenzoyl)-(1-phenylethyl)amino]propyl-diethylazanium chloride, 3-[(4-aminobenzoyl)-(1-phenylethyl)amino]propyl-diethylazanium, 3-[(4-aminobenzoyl)(1-phenylethyl)amino]-n,n-diethylpropan-1-aminium chloride
| Molecular Formula | C22H32ClN3O |
|---|---|
| Molecular Weight | 389.22 g/mol |
| LogP | -0.21 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.2234 |
| Heavy Atoms | 27 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 100321-54-8 |
|---|---|
| SMILES | CC[NH+](CC)CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N.[Cl-] |
| InChIKey | DHYXMCWSJRUEHF-UHFFFAOYSA-N |
Product Overview
RefChem:322567 (CAS 100321-54-8), with molecular formula C22H32ClN3O and molecular weight 389.22 g/mol. IUPAC: 3-[(4-aminobenzoyl)-(1-phenylethyl)amino]propyl-diethylazanium chloride.
Chemical Property Profile of RefChem:322567
Property Insights of RefChem:322567
The XLogP value of -0.21 indicates that RefChem:322567 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:322567 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322567 has 2 hydrogen bond donor(s) and 3 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:322567?
The CAS number of RefChem:322567 is 100321-54-8.
What is the molecular formula of RefChem:322567?
The molecular formula of RefChem:322567 is C22H32ClN3O.
What is the molecular weight of RefChem:322567?
The molecular weight of RefChem:322567 is 389.22 g/mol.
Where can I buy RefChem:322567?
You can request a quote for RefChem:322567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322567?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.