3,4-Dichloro-N-nitrosopyrrolidine
TL;DR: 3,4-Dichloro-N-nitrosopyrrolidine (CAS 59863-59-1) is a chemical compound with molecular formula C4H6Cl2N2O and molecular weight 167.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-1-nitrosopyrrolidine
Also Known As: 3,4-dichloro-1-nitrosopyrrolidine, 3,4-Dichloro-N-nitrosopyrrolidine, N-Nitroso-3,4-dichloropyrrolidine, Pyrrolidine, 3,4-dichloro-N-nitroso-, 3,4-dichloronitrosopyrrolidine
| Molecular Formula | C4H6Cl2N2O |
|---|---|
| Molecular Weight | 167.99 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.98572 |
| Heavy Atoms | 9 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 59863-59-1 |
|---|---|
| SMILES | C1C(C(CN1N=O)Cl)Cl |
| InChIKey | NXUCOCMJAHWYNO-UHFFFAOYSA-N |
Product Overview
3,4-Dichloro-N-nitrosopyrrolidine (CAS 59863-59-1), with molecular formula C4H6Cl2N2O and molecular weight 167.99 g/mol. IUPAC: 3,4-dichloro-1-nitrosopyrrolidine.
Chemical Property Profile of 3,4-Dichloro-N-nitrosopyrrolidine
Property Insights of 3,4-Dichloro-N-nitrosopyrrolidine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichloro-N-nitrosopyrrolidine. With a topological polar surface area (TPSA) of 32.7 Ų, 3,4-Dichloro-N-nitrosopyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichloro-N-nitrosopyrrolidine has 0 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 3,4-Dichloro-N-nitrosopyrrolidine?
The CAS number of 3,4-Dichloro-N-nitrosopyrrolidine is 59863-59-1.
What is the molecular formula of 3,4-Dichloro-N-nitrosopyrrolidine?
The molecular formula of 3,4-Dichloro-N-nitrosopyrrolidine is C4H6Cl2N2O.
What is the molecular weight of 3,4-Dichloro-N-nitrosopyrrolidine?
The molecular weight of 3,4-Dichloro-N-nitrosopyrrolidine is 167.99 g/mol.
Where can I buy 3,4-Dichloro-N-nitrosopyrrolidine?
You can request a quote for 3,4-Dichloro-N-nitrosopyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichloro-N-nitrosopyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichloro-N-nitrosopyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.