2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)
TL;DR: 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester) (CAS 66398-64-9) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate
Also Known As: 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester), (1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate, 1-nitroso-2-(toluene-4-sulfonyloxymethyl)-pyrrolidine, (1-Nitrosopyrrolidin-2-yl)methyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 66398-64-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN2N=O |
| InChIKey | VZAJBRLBQNECNI-UHFFFAOYSA-N |
Product Overview
2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester) (CAS 66398-64-9), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: (1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)
Property Insights of 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester). The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester). Following Lipinski's Rule of Five, 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester) has 0 hydrogen bond donor(s) and 6 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-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)?
The CAS number of 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester) is 66398-64-9.
What is the molecular formula of 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)?
The molecular formula of 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester) is C12H16N2O4S.
What is the molecular weight of 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)?
The molecular weight of 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester) is 284.08 g/mol.
Where can I buy 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)?
You can request a quote for 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.