Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate
TL;DR: Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate (CAS 98854-91-2) 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.
methyl 2-(phenylmethoxycarbonylamino)but-3-enoate
Also Known As: Z-L-a-vinyl-Gly-OMe, Z-D-A-VINYL-GLY-OME, (S)-Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate, methyl 2-{[(benzyloxy)carbonyl]amino}but-3-enoate, methyl 2-(benzyloxycarbonylamino)but-3-enoate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.6404 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 416.25925 |
Chemical Identifiers
| CAS Number | 98854-91-2 |
|---|---|
| SMILES | COC(=O)C(C=C)NC(=O)OCC1=CC=CC=C1 |
Product Overview
Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate (CAS 98854-91-2), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: methyl 2-(phenylmethoxycarbonylamino)but-3-enoate.
Chemical Property Profile of Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate
Property Insights of Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate
The XLogP value of 1.6404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate. Following Lipinski's Rule of Five, Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate has 1 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 Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate?
The CAS number of Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate is 98854-91-2.
What is the molecular formula of Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate?
The molecular formula of Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate is C13H15NO4.
What is the molecular weight of Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate?
The molecular weight of Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate is 249.10 g/mol.
Where can I buy Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate?
You can request a quote for Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(((benzyloxy)carbonyl)amino)but-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.