Ethyl beta-alanyl-L-histidinate
TL;DR: Ethyl beta-alanyl-L-histidinate (CAS 21611-48-3) is a chemical compound with molecular formula C11H18N4O3 and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate
Also Known As: Ethyl beta-alanyl-L-histidinate, I(2)-Alanyl-L-histidine ethyl ester, Ethyl (2S)-2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoate
| Molecular Formula | C11H18N4O3 |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | -0.6511 |
| Topological Polar Surface Area | 110.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.1379 |
| Heavy Atoms | 18 |
| Complexity | 377.64987 |
Chemical Identifiers
| CAS Number | 21611-48-3 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CN=CN1)NC(=O)CCN |
Product Overview
Ethyl beta-alanyl-L-histidinate (CAS 21611-48-3), with molecular formula C11H18N4O3 and molecular weight 254.14 g/mol. IUPAC: ethyl (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of Ethyl beta-alanyl-L-histidinate
Property Insights of Ethyl beta-alanyl-L-histidinate
The XLogP value of -0.6511 indicates that Ethyl beta-alanyl-L-histidinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl beta-alanyl-L-histidinate. Following Lipinski's Rule of Five, Ethyl beta-alanyl-L-histidinate has 3 hydrogen bond donor(s) and 5 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 Ethyl beta-alanyl-L-histidinate?
The CAS number of Ethyl beta-alanyl-L-histidinate is 21611-48-3.
What is the molecular formula of Ethyl beta-alanyl-L-histidinate?
The molecular formula of Ethyl beta-alanyl-L-histidinate is C11H18N4O3.
What is the molecular weight of Ethyl beta-alanyl-L-histidinate?
The molecular weight of Ethyl beta-alanyl-L-histidinate is 254.14 g/mol.
Where can I buy Ethyl beta-alanyl-L-histidinate?
You can request a quote for Ethyl beta-alanyl-L-histidinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl beta-alanyl-L-histidinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl beta-alanyl-L-histidinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.