2-(Phenylimino)diethanol di-p-toluenesulfonate
TL;DR: 2-(Phenylimino)diethanol di-p-toluenesulfonate (CAS 3616-05-5) is a chemical compound with molecular formula C24H27NO6S2 and molecular weight 489.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate
Also Known As: NIOSH/KM2160000, N,N-Bis[2-(tosyloxy)ethyl]aniline, 2-(Phenylimino)diethanol di-p-toluenesulfonate, 2,2 -(Phenylimino)bis(ethanol tosylate), J1.529.957F
| Molecular Formula | C24H27NO6S2 |
|---|---|
| Molecular Weight | 489.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 489.128 |
| Heavy Atoms | 33 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 3616-05-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3 |
| InChIKey | CATMAHFPKNTCAA-UHFFFAOYSA-N |
Product Overview
2-(Phenylimino)diethanol di-p-toluenesulfonate (CAS 3616-05-5), with molecular formula C24H27NO6S2 and molecular weight 489.13 g/mol. IUPAC: 2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(Phenylimino)diethanol di-p-toluenesulfonate
Property Insights of 2-(Phenylimino)diethanol di-p-toluenesulfonate
The XLogP value of 4.7 indicates that 2-(Phenylimino)diethanol di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylimino)diethanol di-p-toluenesulfonate. Following Lipinski's Rule of Five, 2-(Phenylimino)diethanol di-p-toluenesulfonate has 0 hydrogen bond donor(s) and 7 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-(Phenylimino)diethanol di-p-toluenesulfonate?
The CAS number of 2-(Phenylimino)diethanol di-p-toluenesulfonate is 3616-05-5.
What is the molecular formula of 2-(Phenylimino)diethanol di-p-toluenesulfonate?
The molecular formula of 2-(Phenylimino)diethanol di-p-toluenesulfonate is C24H27NO6S2.
What is the molecular weight of 2-(Phenylimino)diethanol di-p-toluenesulfonate?
The molecular weight of 2-(Phenylimino)diethanol di-p-toluenesulfonate is 489.13 g/mol.
Where can I buy 2-(Phenylimino)diethanol di-p-toluenesulfonate?
You can request a quote for 2-(Phenylimino)diethanol di-p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylimino)diethanol di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylimino)diethanol di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.