N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide
TL;DR: N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide (CAS 13380-00-2) is a chemical compound with molecular formula C20H29N3O4S2 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]benzenesulfonamide
Also Known As: N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide, p-Toluenesulfonamide, N,N'-[iminobis(trimethylene)]bis-, 4-methyl-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]benzenesulfonamide
| Molecular Formula | C20H29N3O4S2 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 439.15994 |
| Heavy Atoms | 29 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 13380-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCCNCCCNS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | OIDWICASXFABBZ-UHFFFAOYSA-N |
Product Overview
N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide (CAS 13380-00-2), with molecular formula C20H29N3O4S2 and molecular weight 439.16 g/mol. IUPAC: 4-methyl-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]benzenesulfonamide.
Chemical Property Profile of N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide
Property Insights of N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide. Following Lipinski's Rule of Five, N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide has 3 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 N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide?
The CAS number of N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide is 13380-00-2.
What is the molecular formula of N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide?
The molecular formula of N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide is C20H29N3O4S2.
What is the molecular weight of N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide?
The molecular weight of N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide is 439.16 g/mol.
Where can I buy N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide?
You can request a quote for N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.