RefChem:331302
TL;DR: RefChem:331302 (CAS 81186-20-1) is a chemical compound with molecular formula C21H30N4O3 and molecular weight 386.23178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[benzoyl-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid
Also Known As: Butyric acid, 4-(benzoyl((cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino)methyl)amino)-, 4-(Benzoyl((cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino)methyl)amino)butyric acid, gamma-(N-Benzoyl-N-(N'-cyclohexyl-N'-imidazolin-2'-ylamino)methyl)aminobutyric acid, 4-[benzoyl-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid, 4-(N-{[Cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamido)butanoic acid
Technical Specifications
| Molecular Formula | C21H30N4O3 |
| Molecular Weight | 386.23178 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.23178 Da |
| Heavy Atoms | 28 |
| Complexity | 554.0 |
| SMILES | C1CCC(CC1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3 |
| InChIKey | PSFDRSWFKUYVET-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331302
Property Insights of RefChem:331302
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331302. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331302. Following Lipinski's Rule of Five, RefChem:331302 has 2 hydrogen bond donor(s) and 4 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:331302?
The CAS number of RefChem:331302 is 81186-20-1.
What is the molecular formula of RefChem:331302?
The molecular formula of RefChem:331302 is C21H30N4O3.
What is the molecular weight of RefChem:331302?
The molecular weight of RefChem:331302 is 386.23178 g/mol.
Where can I buy RefChem:331302?
You can request a quote for RefChem:331302 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331302?
Yes, CoreyChem provides custom synthesis services for RefChem:331302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.