1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate
TL;DR: 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate (CAS 54384-06-4) is a chemical compound with molecular formula C25H27NO7S and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl 2-aminobutanedioate;4-methylbenzenesulfonic acid
Also Known As: h-asp(obzl)-obzl tosoh, H-D-Asp(OBzl)-OBzl.TosOH, H-Asp(OBzl)-OBzl.Tos, D,L-Aspartic acid dibenzyl ester-p-toluenesulfonate, H-Asp(OBzl)-OBzl.TosOH
| Molecular Formula | C25H27NO7S |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 3.43232 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 485.15082 |
| Heavy Atoms | 34 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 54384-06-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)N |
| InChIKey | HLMUYZYLPUHSNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate (CAS 54384-06-4), with molecular formula C25H27NO7S and molecular weight 485.15 g/mol. IUPAC: dibenzyl 2-aminobutanedioate;4-methylbenzenesulfonic acid.
Chemical Property Profile of 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate
Property Insights of 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate
The XLogP value of 3.43232 indicates that 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate has 2 hydrogen bond donor(s) and 8 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 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate?
The CAS number of 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate is 54384-06-4.
What is the molecular formula of 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate?
The molecular formula of 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate is C25H27NO7S.
What is the molecular weight of 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate?
The molecular weight of 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate is 485.15 g/mol.
Where can I buy 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate?
You can request a quote for 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.