N,N-双(对甲苯磺酰甲基)乙胺
TL;DR: N,N-双(对甲苯磺酰甲基)乙胺 (CAS 4542-70-5) is a chemical compound with molecular formula C18H23NO4S2 and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-双(对甲苯磺酰甲基)乙胺
N,N-bis[(4-methylphenyl)sulfonylmethyl]ethanamine
Also Known As: n,n-bis[methyl]ethylamine, N,N-bis[ methyl]ethylamine, N,N-Bis((p-tolylsulphonyl)methyl)ethylamine, N,N-Bis(tosylmethyl)ethylamine, N,N-Bis(p-tolylsulfonylmethyl)ethylamine
| Molecular Formula | C18H23NO4S2 |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.10684 |
| Heavy Atoms | 25 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 4542-70-5 |
|---|---|
| SMILES | CCN(CS(=O)(=O)C1=CC=C(C=C1)C)CS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | QUVOXOIEHSGNAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-双(对甲苯磺酰甲基)乙胺 (CAS 4542-70-5), with molecular formula C18H23NO4S2 and molecular weight 381.11 g/mol. IUPAC: N,N-bis[(4-methylphenyl)sulfonylmethyl]ethanamine.
Chemical Property Profile of N,N-双(对甲苯磺酰甲基)乙胺
Property Insights of N,N-双(对甲苯磺酰甲基)乙胺
The XLogP value of 3.4 indicates that N,N-双(对甲苯磺酰甲基)乙胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-双(对甲苯磺酰甲基)乙胺. Following Lipinski's Rule of Five, N,N-双(对甲苯磺酰甲基)乙胺 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,N-双(对甲苯磺酰甲基)乙胺?
The CAS number of N,N-双(对甲苯磺酰甲基)乙胺 is 4542-70-5.
What is the molecular formula of N,N-双(对甲苯磺酰甲基)乙胺?
The molecular formula of N,N-双(对甲苯磺酰甲基)乙胺 is C18H23NO4S2.
What is the molecular weight of N,N-双(对甲苯磺酰甲基)乙胺?
The molecular weight of N,N-双(对甲苯磺酰甲基)乙胺 is 381.11 g/mol.
Where can I buy N,N-双(对甲苯磺酰甲基)乙胺?
You can request a quote for N,N-双(对甲苯磺酰甲基)乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-双(对甲苯磺酰甲基)乙胺?
Yes, KEHONG BIO provides custom synthesis services for N,N-双(对甲苯磺酰甲基)乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.