Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid
TL;DR: Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid (CAS 904244-58-2) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
Also Known As: cis-2-Benzyloxycarbonylaminocyclobutane-carboxylic acid, cis-2-Benzyloxycarbonylaminocyclobutanecarboxylic acid, Trans-2-Benzyloxycarbonylaminocyclobutanecarboxylic acid, trans-2-{[(benzyloxy)carbonyl]amino}cyclobutane-1-carboxylic acid, trans-2-Benzyloxycarbonylaminocyclobutane-carboxylic acid
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 904244-58-2 |
|---|---|
| SMILES | C1CC(C1C(=O)O)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | ZNRUEEQIUVKKBL-UHFFFAOYSA-N |
Product Overview
Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid (CAS 904244-58-2), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 2-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid.
Chemical Property Profile of Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid
Property Insights of Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid. Following Lipinski's Rule of Five, Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid 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 Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid?
The CAS number of Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid is 904244-58-2.
What is the molecular formula of Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid?
The molecular formula of Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid is C13H15NO4.
What is the molecular weight of Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid?
The molecular weight of Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid is 249.10 g/mol.
Where can I buy Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid?
You can request a quote for Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Trans-2-(((benzyloxy)carbonyl)amino)cyclobutane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.