(S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
TL;DR: (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate (CAS 105116-95-8) is a chemical compound with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
Also Known As: N-methyl-l-histidine-methyl ester, N-Methyl-L-Histidine methyl ester, (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate, methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate, Methyl (2S)-3-(3H-imidazol-4-yl)-2-methylamino-propanoate
| Molecular Formula | C8H13N3O2 |
|---|---|
| Molecular Weight | 183.10 g/mol |
| LogP | -0.2868 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.10077 |
| Heavy Atoms | 13 |
| Complexity | 258.36267 |
Chemical Identifiers
| CAS Number | 105116-95-8 |
|---|---|
| SMILES | CN[C@@H](CC1=CN=CN1)C(=O)OC |
Product Overview
(S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate (CAS 105116-95-8), with molecular formula C8H13N3O2 and molecular weight 183.10 g/mol. IUPAC: methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate.
Chemical Property Profile of (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
Property Insights of (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
The XLogP value of -0.2868 indicates that (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate. Following Lipinski's Rule of Five, (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate has 2 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 (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate?
The CAS number of (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate is 105116-95-8.
What is the molecular formula of (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate?
The molecular formula of (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate is C8H13N3O2.
What is the molecular weight of (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate?
The molecular weight of (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate is 183.10 g/mol.
Where can I buy (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate?
You can request a quote for (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Methyl 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.