N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone
TL;DR: N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone (CAS 39718-85-9) is a chemical compound with molecular formula C11H18Cl2N2O and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one;hydrochloride
Also Known As: Dso 16, BM 123 hydrochloride, NIOSH/UY5746600, BM 123, KST-1B3924
| Molecular Formula | C11H18Cl2N2O |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 1.2046 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.07962 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 39718-85-9 |
|---|---|
| SMILES | CN(CCCl)CC#CCN1CCCC1=O.Cl |
| InChIKey | IZGRDLKPFOIZGE-UHFFFAOYSA-N |
Product Overview
N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone (CAS 39718-85-9), with molecular formula C11H18Cl2N2O and molecular weight 264.08 g/mol. IUPAC: 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone
Property Insights of N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone
The XLogP value of 1.2046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone. With a topological polar surface area (TPSA) of 23.6 Ų, N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone has 1 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-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone?
The CAS number of N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone is 39718-85-9.
What is the molecular formula of N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone?
The molecular formula of N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone is C11H18Cl2N2O.
What is the molecular weight of N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone?
The molecular weight of N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone is 264.08 g/mol.
Where can I buy N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone?
You can request a quote for N-(4-(2-chloroethylmethylamino)-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-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(2-chloroethylmethylamino)-2-butynyl)-2-pyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.