(4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one
TL;DR: (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one (CAS 16251-47-1) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
Also Known As: Pseudoephedroxane, Ephedroxane, L-Pseudoephedroxane, (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one, (4S,5S)-3,4-Dimethyl-5-phenyl-2-oxazolidinone
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 16251-47-1 |
|---|---|
| SMILES | C[C@H]1[C@@H](OC(=O)N1C)C2=CC=CC=C2 |
| InChIKey | MNYARIILPGRTQL-WCBMZHEXSA-N |
Product Overview
(4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one (CAS 16251-47-1), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: (4S,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one.
Chemical Property Profile of (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one
Property Insights of (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one. With a topological polar surface area (TPSA) of 29.5 Ų, (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one has 0 hydrogen bond donor(s) and 2 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 (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one?
The CAS number of (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one is 16251-47-1.
What is the molecular formula of (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one?
The molecular formula of (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one is C11H13NO2.
What is the molecular weight of (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one?
The molecular weight of (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one is 191.09 g/mol.
Where can I buy (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one?
You can request a quote for (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (4S,5S)-3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.