Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate
TL;DR: Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate (CAS 4124-58-7) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: Z-Asn-OtBu, Z-L-asparagine tert-butyl ester, N-alpha-Z-L-asparagine tert-butyl ester, tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate, tert-butyl (2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.4985 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 551.33905 |
Chemical Identifiers
| CAS Number | 4124-58-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CC(=O)N)NC(=O)OCC1=CC=CC=C1 |
Product Overview
Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate (CAS 4124-58-7), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: tert-butyl 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate
Property Insights of Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate
The XLogP value of 1.4985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate. Following Lipinski's Rule of Five, Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate has 2 hydrogen bond donor(s) and 5 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 Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate?
The CAS number of Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate is 4124-58-7.
What is the molecular formula of Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate?
The molecular formula of Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate is C16H22N2O5.
What is the molecular weight of Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate?
The molecular weight of Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate is 322.15 g/mol.
Where can I buy Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate?
You can request a quote for Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.