Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate
TL;DR: Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate (CAS 28607-46-7) is a chemical compound with molecular formula C23H25NO5S and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-amino-3-phenylpropanoate;4-methylbenzenesulfonic acid
Also Known As: DL-Phe-ObzlHCl, H-D-Phe-OBzl Tos, Dl-phenylalanine-obzl p-tosylate, H-D-Phe-OBzl.TosOH, H-Phe-OBzl.TosOH
| Molecular Formula | C23H25NO5S |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 3.54152 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.14536 |
| Heavy Atoms | 30 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 28607-46-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N |
| InChIKey | ZLZGBBIPWXUQST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate (CAS 28607-46-7), with molecular formula C23H25NO5S and molecular weight 427.15 g/mol. IUPAC: benzyl 2-amino-3-phenylpropanoate;4-methylbenzenesulfonic acid.
Chemical Property Profile of Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate
Property Insights of Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate
The XLogP value of 3.54152 indicates that Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate has 2 hydrogen bond donor(s) and 6 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 Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate?
The CAS number of Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate is 28607-46-7.
What is the molecular formula of Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate?
The molecular formula of Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate is C23H25NO5S.
What is the molecular weight of Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate?
The molecular weight of Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate is 427.15 g/mol.
Where can I buy Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate?
You can request a quote for Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.