N-Nitrosoproline ethyl ester
TL;DR: N-Nitrosoproline ethyl ester (CAS 16339-06-3) is a chemical compound with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-nitrosopyrrolidine-2-carboxylate
Also Known As: N-Nitrosoproline ethyl ester, ethyl 1-nitrosoprolinate, N-Nitrosoprolinaethylester, N-Nitrosoprolinaethylester [German], Proline, N-nitroso-, ethyl ester
| Molecular Formula | C7H12N2O3 |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.0848 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 16339-06-3 |
|---|---|
| SMILES | CCOC(=O)C1CCCN1N=O |
| InChIKey | CPURSCKAPPWVBT-UHFFFAOYSA-N |
Product Overview
N-Nitrosoproline ethyl ester (CAS 16339-06-3), with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol. IUPAC: ethyl 1-nitrosopyrrolidine-2-carboxylate.
Chemical Property Profile of N-Nitrosoproline ethyl ester
Property Insights of N-Nitrosoproline ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosoproline ethyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, N-Nitrosoproline ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitrosoproline ethyl ester has 0 hydrogen bond donor(s) and 5 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 N-Nitrosoproline ethyl ester?
The CAS number of N-Nitrosoproline ethyl ester is 16339-06-3.
What is the molecular formula of N-Nitrosoproline ethyl ester?
The molecular formula of N-Nitrosoproline ethyl ester is C7H12N2O3.
What is the molecular weight of N-Nitrosoproline ethyl ester?
The molecular weight of N-Nitrosoproline ethyl ester is 172.08 g/mol.
Where can I buy N-Nitrosoproline ethyl ester?
You can request a quote for N-Nitrosoproline ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosoproline ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosoproline ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.