Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate
TL;DR: Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate (CAS 160141-21-9) is a chemical compound with molecular formula C13H23NO4 and molecular weight 257.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate
Also Known As: 4-t-Boc-(5S)-5-[(1S)-methylpropyl]-morpholin-3-one, Tert-butyl 3-butan-2-yl-5-oxo-morpholine-4-carboxylate, tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate
| Molecular Formula | C13H23NO4 |
|---|---|
| Molecular Weight | 257.16 g/mol |
| LogP | 2.195 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.16272 |
| Heavy Atoms | 18 |
| Complexity | 321.44315 |
Chemical Identifiers
| CAS Number | 160141-21-9 |
|---|---|
| SMILES | CCC(C)C1COCC(=O)N1C(=O)OC(C)(C)C |
Product Overview
Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate (CAS 160141-21-9), with molecular formula C13H23NO4 and molecular weight 257.16 g/mol. IUPAC: tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate.
Chemical Property Profile of Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate
Property Insights of Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate
The XLogP value of 2.195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-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 3-butan-2-yl-5-oxomorpholine-4-carboxylate?
The CAS number of Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate is 160141-21-9.
What is the molecular formula of Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate?
The molecular formula of Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate is C13H23NO4.
What is the molecular weight of Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate?
The molecular weight of Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate is 257.16 g/mol.
Where can I buy Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate?
You can request a quote for Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-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 3-butan-2-yl-5-oxomorpholine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-butan-2-yl-5-oxomorpholine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.