3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-
TL;DR: 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- (CAS 57795-06-9) is a chemical compound with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbothioamide
Also Known As: N-Butyl-2-oxo-5-phenyl-3-oxazolidinecarbothioamide, 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-, Butylaminothiocarbonyl-3 phenyl-5 oxazolidine-1,3 one-2, Butylaminothiocarbonyl-3 phenyl-5 oxazolidine-1,3 one-2 [French], N-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbothioamide
| Molecular Formula | C14H18N2O2S |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 2.8545 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.1089 |
| Heavy Atoms | 19 |
| Complexity | 450.019 |
Chemical Identifiers
| CAS Number | 57795-06-9 |
|---|---|
| SMILES | CCCCNC(=S)N1CC(OC1=O)C2=CC=CC=C2 |
Product Overview
3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- (CAS 57795-06-9), with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol. IUPAC: N-butyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbothioamide.
Chemical Property Profile of 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-
Property Insights of 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-
The XLogP value of 2.8545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-. With a topological polar surface area (TPSA) of 41.57 Ų, 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- has 1 hydrogen bond donor(s) and 3 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 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-?
The CAS number of 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- is 57795-06-9.
What is the molecular formula of 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-?
The molecular formula of 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- is C14H18N2O2S.
What is the molecular weight of 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-?
The molecular weight of 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- is 278.11 g/mol.
Where can I buy 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-?
You can request a quote for 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxazolidinecarbothioamide, N-butyl-2-oxo-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.