N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone
TL;DR: N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone (CAS 93491-53-3) is a chemical compound with molecular formula C13H19ClN2O and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(chloromethyl)pyrrolidin-1-yl]but-2-ynyl]pyrrolidin-2-one
Also Known As: BM 130, N-(4-(2-Chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone, 1-[4-[2-(chloromethyl)pyrrolidin-1-yl]but-2-ynyl]pyrrolidin-2-one, 2-Pyrrolidinone, 1-(4-(2-(chloromethyl)-1-pyrrolidinyl)-2-butynyl)-, N-[4-(2-chloromethylpyrrolidino)-2-butynyl]-2-pyrrolidone
| Molecular Formula | C13H19ClN2O |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.11859 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 93491-53-3 |
|---|---|
| SMILES | C1CC(N(C1)CC#CCN2CCCC2=O)CCl |
| InChIKey | BJYJRZSKQPOPDR-UHFFFAOYSA-N |
Product Overview
N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone (CAS 93491-53-3), with molecular formula C13H19ClN2O and molecular weight 254.12 g/mol. IUPAC: 1-[4-[2-(chloromethyl)pyrrolidin-1-yl]but-2-ynyl]pyrrolidin-2-one.
Chemical Property Profile of N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone
Property Insights of N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone. With a topological polar surface area (TPSA) of 23.6 Ų, N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone has 0 hydrogen bond donor(s) and 2 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-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone?
The CAS number of N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone is 93491-53-3.
What is the molecular formula of N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone?
The molecular formula of N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone is C13H19ClN2O.
What is the molecular weight of N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone?
The molecular weight of N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone is 254.12 g/mol.
Where can I buy N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone?
You can request a quote for N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(2-chloromethylpyrrolidino)-2-butynyl)-2-pyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.