2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯
TL;DR: 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 (CAS 119005-30-0) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯
ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetate
Also Known As: Ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetate, J1.561.400E, tert-butyl 2-methylsulfonamidoethylaminoformate, 1-AZETIDINEACETIC ACID, 2-(2-NAPHTHALENYLTHIO)-4, 1-Azetidineacetic acid,2-(2-naphthalenylthio)-4-oxo-, ethyl ester
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 119005-30-0 |
|---|---|
| SMILES | CCOC(=O)CN1C(CC1=O)SC2=CC3=CC=CC=C3C=C2 |
| InChIKey | DQUHKQLVSSQSHB-UHFFFAOYSA-N |
Product Overview
2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 (CAS 119005-30-0), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetate.
Chemical Property Profile of 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯
Property Insights of 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯
The XLogP value of 3.3 indicates that 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯. Following Lipinski's Rule of Five, 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 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 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯?
The CAS number of 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 is 119005-30-0.
What is the molecular formula of 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯?
The molecular formula of 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 is C17H17NO3S.
What is the molecular weight of 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯?
The molecular weight of 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 is 315.09 g/mol.
Where can I buy 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯?
You can request a quote for 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-萘硫基-4-氧代氮杂环丁-1-基)乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.