N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester
TL;DR: N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester (CAS 404576-00-7) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[carbamimidoyl(methyl)amino]acetate
Also Known As: creatine benzyl ester, creatine-benzyl-ester, Benzyl 2-(carbamimidoyl-methyl-amino)acetate, N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester, N-(Aminoiminomethyl)-N-methylglycine phenylmethyl ester
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 0.55507 |
| Topological Polar Surface Area | 79.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 364.75223 |
Chemical Identifiers
| CAS Number | 404576-00-7 |
|---|---|
| SMILES | CN(CC(=O)OCC1=CC=CC=C1)C(=N)N |
Product Overview
N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester (CAS 404576-00-7), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: benzyl 2-[carbamimidoyl(methyl)amino]acetate.
Chemical Property Profile of N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester
Property Insights of N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester
The XLogP value of 0.55507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester. The TPSA of 79.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester. Following Lipinski's Rule of Five, N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester has 2 hydrogen bond donor(s) and 3 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-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester?
The CAS number of N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester is 404576-00-7.
What is the molecular formula of N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester?
The molecular formula of N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester is C11H15N3O2.
What is the molecular weight of N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester?
The molecular weight of N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester is 221.12 g/mol.
Where can I buy N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester?
You can request a quote for N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester?
Yes, KEHONG BIO provides custom synthesis services for N-(Aminoiminomethyl)-N-methyl-phenylmethylglycine Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.