Asparaginyl-proline
TL;DR: Asparaginyl-proline (CAS 78346-95-9) is a chemical compound with molecular formula C9H15N3O4 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
Also Known As: Asn-Pro, asparaginyl-proline, L-Asn-L-Pro, L-asparaginyl-L-proline, L-Proline, 1-L-asparaginyl-
| Molecular Formula | C9H15N3O4 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | -1.7353 |
| Topological Polar Surface Area | 126.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.10626 |
| Heavy Atoms | 16 |
| Complexity | 317.87595 |
Chemical Identifiers
| CAS Number | 78346-95-9 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N)N)C(=O)O |
Product Overview
Asparaginyl-proline (CAS 78346-95-9), with molecular formula C9H15N3O4 and molecular weight 229.11 g/mol. IUPAC: (2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Asparaginyl-proline
Property Insights of Asparaginyl-proline
The XLogP value of -1.7353 indicates that Asparaginyl-proline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Asparaginyl-proline. Following Lipinski's Rule of Five, Asparaginyl-proline 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 Asparaginyl-proline?
The CAS number of Asparaginyl-proline is 78346-95-9.
What is the molecular formula of Asparaginyl-proline?
The molecular formula of Asparaginyl-proline is C9H15N3O4.
What is the molecular weight of Asparaginyl-proline?
The molecular weight of Asparaginyl-proline is 229.11 g/mol.
Where can I buy Asparaginyl-proline?
You can request a quote for Asparaginyl-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asparaginyl-proline?
Yes, KEHONG BIO provides custom synthesis services for Asparaginyl-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.