Difelikefalin Impurity 2
TL;DR: Difelikefalin Impurity 2 (CAS 1173674-34-4) is a chemical compound with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: Difelikefalin Impurity 2, (1-(L-Leucyl)piperidine-4-carbonyl)-D-phenylalanine, 2-[[1-(2-amino-4-methyl-pentanoyl)piperidine-4-carbonyl]amino]-3-phenyl-propanoic Acid, (2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
| Molecular Formula | C21H31N3O4 |
|---|---|
| Molecular Weight | 389.23 g/mol |
| LogP | 1.4105 |
| Topological Polar Surface Area | 112.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.23145 |
| Heavy Atoms | 28 |
| Complexity | 669.4881 |
Chemical Identifiers
| CAS Number | 1173674-34-4 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O)N |
Product Overview
Difelikefalin Impurity 2 (CAS 1173674-34-4), with molecular formula C21H31N3O4 and molecular weight 389.23 g/mol. IUPAC: (2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of Difelikefalin Impurity 2
Property Insights of Difelikefalin Impurity 2
The XLogP value of 1.4105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difelikefalin Impurity 2. The TPSA of 112.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Difelikefalin Impurity 2. Following Lipinski's Rule of Five, Difelikefalin Impurity 2 has 3 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 Difelikefalin Impurity 2?
The CAS number of Difelikefalin Impurity 2 is 1173674-34-4.
What is the molecular formula of Difelikefalin Impurity 2?
The molecular formula of Difelikefalin Impurity 2 is C21H31N3O4.
What is the molecular weight of Difelikefalin Impurity 2?
The molecular weight of Difelikefalin Impurity 2 is 389.23 g/mol.
Where can I buy Difelikefalin Impurity 2?
You can request a quote for Difelikefalin Impurity 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difelikefalin Impurity 2?
Yes, KEHONG BIO provides custom synthesis services for Difelikefalin Impurity 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.