1-Azetidinesulfonic acid,3-amino-2-oxo
TL;DR: 1-Azetidinesulfonic acid,3-amino-2-oxo (CAS 78613-19-1) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[2-(4-methoxyphenyl)-1-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Also Known As: 1-Azetidinesulfonic acid,3-amino-2-oxo, Ethyl ((5-(2-(4-methoxyphenyl)-1-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetate, Acetic acid, ((5-(2-(4-methoxyphenyl)-1-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)-, ethyl ester, Ethyl 2-((5-(2-(4-methoxyphenyl)-1-phenylethyl)-1,3,4-oxadiazol-2-yl)thio)acetate, ethyl 2-[[5-[2-(4-methoxyphenyl)-1-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 4.108 |
| Topological Polar Surface Area | 74.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 880.936 |
Chemical Identifiers
| CAS Number | 78613-19-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(O1)C(CC2=CC=C(C=C2)OC)C3=CC=CC=C3 |
Product Overview
1-Azetidinesulfonic acid,3-amino-2-oxo (CAS 78613-19-1), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: ethyl 2-[[5-[2-(4-methoxyphenyl)-1-phenylethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of 1-Azetidinesulfonic acid,3-amino-2-oxo
Property Insights of 1-Azetidinesulfonic acid,3-amino-2-oxo
The XLogP value of 4.108 indicates that 1-Azetidinesulfonic acid,3-amino-2-oxo is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Azetidinesulfonic acid,3-amino-2-oxo. Following Lipinski's Rule of Five, 1-Azetidinesulfonic acid,3-amino-2-oxo has 0 hydrogen bond donor(s) and 7 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 1-Azetidinesulfonic acid,3-amino-2-oxo?
The CAS number of 1-Azetidinesulfonic acid,3-amino-2-oxo is 78613-19-1.
What is the molecular formula of 1-Azetidinesulfonic acid,3-amino-2-oxo?
The molecular formula of 1-Azetidinesulfonic acid,3-amino-2-oxo is C21H22N2O4S.
What is the molecular weight of 1-Azetidinesulfonic acid,3-amino-2-oxo?
The molecular weight of 1-Azetidinesulfonic acid,3-amino-2-oxo is 398.13 g/mol.
Where can I buy 1-Azetidinesulfonic acid,3-amino-2-oxo?
You can request a quote for 1-Azetidinesulfonic acid,3-amino-2-oxo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azetidinesulfonic acid,3-amino-2-oxo?
Yes, KEHONG BIO provides custom synthesis services for 1-Azetidinesulfonic acid,3-amino-2-oxo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.