RefChem:331303
TL;DR: RefChem:331303 (CAS 81186-21-2) is a chemical compound with molecular formula C20H28N4O3 and molecular weight 372.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid
Also Known As: Butyric acid, 4-(benzoyl((cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino)methyl)amino)-, 4-(Benzoyl((cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino)methyl)amino)butyric acid, 4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid, 4-(N-{[Cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamido)butanoic acid, BUTYRIC ACID, 4-(BENZOYL((CYCLOPENTYL(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO)METHYL)
| Molecular Formula | C20H28N4O3 |
|---|---|
| Molecular Weight | 372.22 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 372.21616 |
| Heavy Atoms | 27 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 81186-21-2 |
|---|---|
| SMILES | C1CCC(C1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3 |
| InChIKey | NIPSVSOVTLKTPQ-UHFFFAOYSA-N |
Product Overview
RefChem:331303 (CAS 81186-21-2), with molecular formula C20H28N4O3 and molecular weight 372.22 g/mol. IUPAC: 4-[benzoyl-[[cyclopentyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid.
Chemical Property Profile of RefChem:331303
Property Insights of RefChem:331303
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331303. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331303. Following Lipinski's Rule of Five, RefChem:331303 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
Frequently Asked Questions
What is the CAS number of RefChem:331303?
The CAS number of RefChem:331303 is 81186-21-2.
What is the molecular formula of RefChem:331303?
The molecular formula of RefChem:331303 is C20H28N4O3.
What is the molecular weight of RefChem:331303?
The molecular weight of RefChem:331303 is 372.22 g/mol.
Where can I buy RefChem:331303?
You can request a quote for RefChem:331303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331303?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.