RefChem:331300
TL;DR: RefChem:331300 (CAS 81186-16-5) is a chemical compound with molecular formula C17H24N4O4 and molecular weight 348.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]methyl]amino]butanoic acid
Also Known As: Butyric acid, 4-(benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(2-hydroxyethyl)amino)methyl)amino)-, 4-(Benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(2-hydroxyethyl)amino)methyl)amino)butyric acid, 4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]methyl]amino]butanoicacid, 4-(N-{[(4,5-Dihydro-1H-imidazol-2-yl)(2-hydroxyethyl)amino]methyl}benzamido)butanoic acid, 4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]methyl]amino]butanoic acid
| Molecular Formula | C17H24N4O4 |
|---|---|
| Molecular Weight | 348.18 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 348.17975 |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 81186-16-5 |
|---|---|
| SMILES | C1CN=C(N1)N(CCO)CN(CCCC(=O)O)C(=O)C2=CC=CC=C2 |
| InChIKey | HYKLKVHEGMSVKE-UHFFFAOYSA-N |
Product Overview
RefChem:331300 (CAS 81186-16-5), with molecular formula C17H24N4O4 and molecular weight 348.18 g/mol. IUPAC: 4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]methyl]amino]butanoic acid.
Chemical Property Profile of RefChem:331300
Property Insights of RefChem:331300
The XLogP value of -0.3 indicates that RefChem:331300 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331300. Following Lipinski's Rule of Five, RefChem:331300 has 3 hydrogen bond donor(s) and 5 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:331300?
The CAS number of RefChem:331300 is 81186-16-5.
What is the molecular formula of RefChem:331300?
The molecular formula of RefChem:331300 is C17H24N4O4.
What is the molecular weight of RefChem:331300?
The molecular weight of RefChem:331300 is 348.18 g/mol.
Where can I buy RefChem:331300?
You can request a quote for RefChem:331300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331300?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.