L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester
TL;DR: L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester (CAS 31944-64-6) is a chemical compound with molecular formula C20H34N4O4 and molecular weight 394.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(decanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoate
Also Known As: L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester, L-Histidine,N-[N-(1-oxodecyl)-L-alanyl]-methyl ester, methyl 2-[2-(decanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoate, N-(1-Hydroxy-1-{[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]imino}propan-2-yl)decanimidic acid
| Molecular Formula | C20H34N4O4 |
|---|---|
| Molecular Weight | 394.26 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 394.258 |
| Heavy Atoms | 28 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 31944-64-6 |
|---|---|
| SMILES | CCCCCCCCCC(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)OC |
| InChIKey | MJMCWQGJZURFBP-UHFFFAOYSA-N |
Product Overview
L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester (CAS 31944-64-6), with molecular formula C20H34N4O4 and molecular weight 394.26 g/mol. IUPAC: methyl 2-[2-(decanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoate.
Chemical Property Profile of L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester
Property Insights of L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester
The XLogP value of 3.5 indicates that L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester. Following Lipinski's Rule of Five, L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester 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 L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester?
The CAS number of L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester is 31944-64-6.
What is the molecular formula of L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester?
The molecular formula of L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester is C20H34N4O4.
What is the molecular weight of L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester?
The molecular weight of L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester is 394.26 g/mol.
Where can I buy L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester?
You can request a quote for L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Histidine, N-(N-(1-oxodecyl)-L-alanyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.