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N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline
TL;DR: N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline (CAS 103975-55-9) is a chemical compound with molecular formula C21H19NO4S2 and molecular weight 413.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline
Also Known As: N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline, N-(2,2-bis(phenylsulfonyl)vinyl)-4-methylaniline, F1637-0032, ({2-[(4-methylphenyl)amino]-1-(phenylsulfonyl)vinyl}sulfonyl)benzene
| Molecular Formula | C21H19NO4S2 |
|---|---|
| Molecular Weight | 413.08 g/mol |
| LogP | 4.15362 |
| Topological Polar Surface Area | 80.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.07556 |
| Heavy Atoms | 28 |
| Complexity | 1112.78 |
Chemical Identifiers
| CAS Number | 103975-55-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC=C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline (CAS 103975-55-9), with molecular formula C21H19NO4S2 and molecular weight 413.08 g/mol. IUPAC: N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline.
Chemical Property Profile of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline
Property Insights of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline
The XLogP value of 4.15362 indicates that N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline. Following Lipinski's Rule of Five, N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline has 1 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-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline?
The CAS number of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline is 103975-55-9.
What is the molecular formula of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline?
The molecular formula of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline is C21H19NO4S2.
What is the molecular weight of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline?
The molecular weight of N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline is 413.08 g/mol.
Where can I buy N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline?
You can request a quote for N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2,2-bis(benzenesulfonyl)ethenyl]-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.