![2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate structure](/static/products/221/22159-81-5.png)
2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate
TL;DR: 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate (CAS 22159-81-5) is a chemical compound with molecular formula C20H16BrNO3S and molecular weight 429.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidate
Also Known As: (E)-o-tolyl N-(4-bromophenyl)sulfonylbenzimidate, 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate, (2-methylphenyl) (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidate
| Molecular Formula | C20H16BrNO3S |
|---|---|
| Molecular Weight | 429.00 g/mol |
| LogP | 4.97202 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.00342 |
| Heavy Atoms | 26 |
| Complexity | 1030.1661 |
Chemical Identifiers
| CAS Number | 22159-81-5 |
|---|---|
| SMILES | CC1=CC=CC=C1O/C(=N/S(=O)(=O)C2=CC=C(C=C2)Br)/C3=CC=CC=C3 |
Product Overview
2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate (CAS 22159-81-5), with molecular formula C20H16BrNO3S and molecular weight 429.00 g/mol. IUPAC: (2-methylphenyl) (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidate.
Chemical Property Profile of 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate
Property Insights of 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate
The XLogP value of 4.97202 indicates that 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.73 Ų, 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate has 0 hydrogen bond donor(s) and 3 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-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate?
The CAS number of 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate is 22159-81-5.
What is the molecular formula of 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate?
The molecular formula of 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate is C20H16BrNO3S.
What is the molecular weight of 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate?
The molecular weight of 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate is 429.00 g/mol.
Where can I buy 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate?
You can request a quote for 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylphenyl N-[(4-bromophenyl)sulfonyl]benzenecarboximidoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.