N-Propanoyl-beta-alanyl-L-histidine
TL;DR: N-Propanoyl-beta-alanyl-L-histidine (CAS 78137-72-1) is a chemical compound with molecular formula C12H18N4O4 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-imidazol-5-yl)-2-[3-(propanoylamino)propanoylamino]propanoic acid
Also Known As: N-Propanoyl-beta-alanyl-L-histidine, N-(1-Oxopropyl)-I(2)-alanyl-L-histidine, (2S)-3-(3H-imidazol-4-yl)-2-[3-(propanoylamino)propanoylamino]propanoic Acid
| Molecular Formula | C12H18N4O4 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | -0.5621 |
| Topological Polar Surface Area | 124.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.1328 |
| Heavy Atoms | 20 |
| Complexity | 458.0322 |
Chemical Identifiers
| CAS Number | 78137-72-1 |
|---|---|
| SMILES | CCC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
Product Overview
N-Propanoyl-beta-alanyl-L-histidine (CAS 78137-72-1), with molecular formula C12H18N4O4 and molecular weight 282.13 g/mol. IUPAC: (2S)-3-(1H-imidazol-5-yl)-2-[3-(propanoylamino)propanoylamino]propanoic acid.
Chemical Property Profile of N-Propanoyl-beta-alanyl-L-histidine
Property Insights of N-Propanoyl-beta-alanyl-L-histidine
The XLogP value of -0.5621 indicates that N-Propanoyl-beta-alanyl-L-histidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Propanoyl-beta-alanyl-L-histidine. Following Lipinski's Rule of Five, N-Propanoyl-beta-alanyl-L-histidine has 4 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 N-Propanoyl-beta-alanyl-L-histidine?
The CAS number of N-Propanoyl-beta-alanyl-L-histidine is 78137-72-1.
What is the molecular formula of N-Propanoyl-beta-alanyl-L-histidine?
The molecular formula of N-Propanoyl-beta-alanyl-L-histidine is C12H18N4O4.
What is the molecular weight of N-Propanoyl-beta-alanyl-L-histidine?
The molecular weight of N-Propanoyl-beta-alanyl-L-histidine is 282.13 g/mol.
Where can I buy N-Propanoyl-beta-alanyl-L-histidine?
You can request a quote for N-Propanoyl-beta-alanyl-L-histidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Propanoyl-beta-alanyl-L-histidine?
Yes, KEHONG BIO provides custom synthesis services for N-Propanoyl-beta-alanyl-L-histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.