Glycylglycine benzyl ester p-toluenesulfonate
TL;DR: Glycylglycine benzyl ester p-toluenesulfonate (CAS 1738-82-5) is a chemical compound with molecular formula C18H22N2O6S and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(2-aminoacetyl)amino]acetate;4-methylbenzenesulfonic acid
Also Known As: Benzyl 2-(2-aminoacetamido)acetate 4-methylbenzenesulfonate, H-Gly-Gly-OBzl.TosOH, Glycylglycine Benzyl Ester p-Toluenesulfonate, 4-Pyridinepropanamine, GLY-GLY-OBZL.TOS
| Molecular Formula | C18H22N2O6S |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 1.04642 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.11984 |
| Heavy Atoms | 27 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 1738-82-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CNC(=O)CN |
| InChIKey | RWBJLSORGVEMHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glycylglycine benzyl ester p-toluenesulfonate (CAS 1738-82-5), with molecular formula C18H22N2O6S and molecular weight 394.12 g/mol. IUPAC: benzyl 2-[(2-aminoacetyl)amino]acetate;4-methylbenzenesulfonic acid.
Chemical Property Profile of Glycylglycine benzyl ester p-toluenesulfonate
Property Insights of Glycylglycine benzyl ester p-toluenesulfonate
The XLogP value of 1.04642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycylglycine benzyl ester p-toluenesulfonate. The TPSA of 144.0 Ų indicates high polarity, suggesting Glycylglycine benzyl ester p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycylglycine benzyl ester p-toluenesulfonate has 3 hydrogen bond donor(s) and 7 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 Glycylglycine benzyl ester p-toluenesulfonate?
The CAS number of Glycylglycine benzyl ester p-toluenesulfonate is 1738-82-5.
What is the molecular formula of Glycylglycine benzyl ester p-toluenesulfonate?
The molecular formula of Glycylglycine benzyl ester p-toluenesulfonate is C18H22N2O6S.
What is the molecular weight of Glycylglycine benzyl ester p-toluenesulfonate?
The molecular weight of Glycylglycine benzyl ester p-toluenesulfonate is 394.12 g/mol.
Where can I buy Glycylglycine benzyl ester p-toluenesulfonate?
You can request a quote for Glycylglycine benzyl ester p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycylglycine benzyl ester p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Glycylglycine benzyl ester p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.