(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
TL;DR: (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate (CAS 4668-42-2) is a chemical compound with molecular formula C13H14NO6- and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Also Known As: L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-methyl ester, (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C13H14NO6- |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | -0.4056 |
| Topological Polar Surface Area | 104.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.08212 |
| Heavy Atoms | 20 |
| Complexity | 473.00955 |
Chemical Identifiers
| CAS Number | 4668-42-2 |
|---|---|
| SMILES | COC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1=CC=CC=C1 |
Product Overview
(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate (CAS 4668-42-2), with molecular formula C13H14NO6- and molecular weight 280.08 g/mol. IUPAC: (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Property Insights of (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
The XLogP value of -0.4056 indicates that (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate. Following Lipinski's Rule of Five, (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate has 1 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 (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
The CAS number of (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate is 4668-42-2.
What is the molecular formula of (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
The molecular formula of (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate is C13H14NO6-.
What is the molecular weight of (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
The molecular weight of (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate is 280.08 g/mol.
Where can I buy (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
You can request a quote for (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.