beta-Benzyl DL-aspartate N-carboxyanhydride
TL;DR: beta-Benzyl DL-aspartate N-carboxyanhydride (CAS 46911-83-5) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate
Also Known As: beta-Benzyl DL-aspartate N-carboxyanhydride, Benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate, J3.038.907G, benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate, (2,5-Dioxooxazolidine-4alpha-yl)acetic acid benzyl ester
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 46911-83-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C[C@@H]2C(=O)OC(=O)N2 |
| InChIKey | QNIPTEJAZIWFHH-SECBINFHSA-N |
Product Overview
beta-Benzyl DL-aspartate N-carboxyanhydride (CAS 46911-83-5), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: benzyl 2-[(4R)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate.
Chemical Property Profile of beta-Benzyl DL-aspartate N-carboxyanhydride
Property Insights of beta-Benzyl DL-aspartate N-carboxyanhydride
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Benzyl DL-aspartate N-carboxyanhydride. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Benzyl DL-aspartate N-carboxyanhydride. Following Lipinski's Rule of Five, beta-Benzyl DL-aspartate N-carboxyanhydride has 1 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 beta-Benzyl DL-aspartate N-carboxyanhydride?
The CAS number of beta-Benzyl DL-aspartate N-carboxyanhydride is 46911-83-5.
What is the molecular formula of beta-Benzyl DL-aspartate N-carboxyanhydride?
The molecular formula of beta-Benzyl DL-aspartate N-carboxyanhydride is C12H11NO5.
What is the molecular weight of beta-Benzyl DL-aspartate N-carboxyanhydride?
The molecular weight of beta-Benzyl DL-aspartate N-carboxyanhydride is 249.06 g/mol.
Where can I buy beta-Benzyl DL-aspartate N-carboxyanhydride?
You can request a quote for beta-Benzyl DL-aspartate N-carboxyanhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Benzyl DL-aspartate N-carboxyanhydride?
Yes, KEHONG BIO provides custom synthesis services for beta-Benzyl DL-aspartate N-carboxyanhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.