RefChem:331301
TL;DR: RefChem:331301 (CAS 81186-17-6) is a chemical compound with molecular formula C18H26N4O4 and molecular weight 362.1954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(3-hydroxypropyl)amino]methyl]amino]butanoic acid
Also Known As: Butyric acid, 4-(benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(3-hydroxypropyl)amino)methyl)amino)-, 4-(Benzoyl(((4,5-dihydro-1H-imidazol-2-yl)(3-hydroxypropyl)amino)methyl)amino)butyric acid, 4-[Benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(3-hydroxypropyl)amino]methyl]amino]butanoicacid, 4-(N-{[(4,5-Dihydro-1H-imidazol-2-yl)(3-hydroxypropyl)amino]methyl}benzamido)butanoic acid, 4-[benzoyl-[[4,5-dihydro-1H-imidazol-2-yl(3-hydroxypropyl)amino]methyl]amino]butanoic acid
Technical Specifications
| Molecular Formula | C18H26N4O4 |
| Molecular Weight | 362.1954 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 362.1954 Da |
| Heavy Atoms | 26 |
| Complexity | 492.0 |
| SMILES | C1CN=C(N1)N(CCCO)CN(CCCC(=O)O)C(=O)C2=CC=CC=C2 |
| InChIKey | DWJKHCPKJOPMFX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331301
Property Insights of RefChem:331301
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331301. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331301. Following Lipinski's Rule of Five, RefChem:331301 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
What is the CAS number of RefChem:331301?
The CAS number of RefChem:331301 is 81186-17-6.
What is the molecular formula of RefChem:331301?
The molecular formula of RefChem:331301 is C18H26N4O4.
What is the molecular weight of RefChem:331301?
The molecular weight of RefChem:331301 is 362.1954 g/mol.
Where can I buy RefChem:331301?
You can request a quote for RefChem:331301 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331301?
Yes, CoreyChem provides custom synthesis services for RefChem:331301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.