RefChem:161689
TL;DR: RefChem:161689 (CAS 69856-01-5) is a chemical compound with molecular formula C18H33N3O4 and molecular weight 355.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-carboxyethyl-[2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethyl]amino]propanoic acid
Also Known As: 1-(N,N-Bis(carboxyethyl)aminoethyl)-2-heptyl-2-imidazoline, .beta.-Alanine, N-(2-carboxyethyl)-N-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]-, beta-Alanine, N-(2-carboxyethyl)-N-(2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)-, N-(2-Carboxyethyl)-N-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]-beta-alanine, N-(2-Carboxyethyl)-N-(2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)-beta-alanine
| Molecular Formula | C18H33N3O4 |
|---|---|
| Molecular Weight | 355.25 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 355.2471 |
| Heavy Atoms | 25 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 69856-01-5 |
|---|---|
| SMILES | CCCCCCCC1=NCCN1CCN(CCC(=O)O)CCC(=O)O |
| InChIKey | VXWCUMLZBRJYFU-UHFFFAOYSA-N |
Product Overview
RefChem:161689 (CAS 69856-01-5), with molecular formula C18H33N3O4 and molecular weight 355.25 g/mol. IUPAC: 3-[2-carboxyethyl-[2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethyl]amino]propanoic acid.
Chemical Property Profile of RefChem:161689
Property Insights of RefChem:161689
The XLogP value of -0.8 indicates that RefChem:161689 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:161689. Following Lipinski's Rule of Five, RefChem:161689 has 2 hydrogen bond donor(s) and 6 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:161689?
The CAS number of RefChem:161689 is 69856-01-5.
What is the molecular formula of RefChem:161689?
The molecular formula of RefChem:161689 is C18H33N3O4.
What is the molecular weight of RefChem:161689?
The molecular weight of RefChem:161689 is 355.25 g/mol.
Where can I buy RefChem:161689?
You can request a quote for RefChem:161689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:161689?
Yes, KEHONG BIO provides custom synthesis services for RefChem:161689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.