tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
TL;DR: tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate (CAS 163625-46-5) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
Also Known As: Vibegron Impurity 31, starbld0044709, tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate, (4S,5R)-3-Boc-2,2-dimethyl-5-phenyloxazolidine-4-carbaldehyde, tert-butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 3.2986 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 547.5274 |
Chemical Identifiers
| CAS Number | 163625-46-5 |
|---|---|
| SMILES | CC1(N([C@@H]([C@H](O1)C2=CC=CC=C2)C=O)C(=O)OC(C)(C)C)C |
Product Overview
tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate (CAS 163625-46-5), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: tert-butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyl-1,3-oxazolidine-3-carboxylate.
Chemical Property Profile of tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
Property Insights of tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
The XLogP value of 3.2986 indicates that tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate has 0 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 tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate?
The CAS number of tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate is 163625-46-5.
What is the molecular formula of tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate?
The molecular formula of tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate is C17H23NO4.
What is the molecular weight of tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate?
The molecular weight of tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate is 305.16 g/mol.
Where can I buy tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate?
You can request a quote for tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (4S,5R)-4-formyl-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.