N,N'-Diphenylaminoiminomethanesulfonic acid
TL;DR: N,N'-Diphenylaminoiminomethanesulfonic acid (CAS 107679-90-3) is a chemical compound with molecular formula C23H24Cl3N3O2 and molecular weight 479.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-pentyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
Also Known As: N,N'-Diphenylaminoiminomethanesulfonic acid, 1-[[(4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-pentyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole, 1H-1,2,4-Triazole, 1-(((4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-pentyl-1,3-dioxolan-4-yl)methyl)-, 1-{[(4S,5R)-4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-2-pentyl-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole, 1-{[4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-2-pentyl-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole
| Molecular Formula | C23H24Cl3N3O2 |
|---|---|
| Molecular Weight | 479.09 g/mol |
| LogP | 6.8283 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.0934 |
| Heavy Atoms | 31 |
| Complexity | 997.8111 |
Chemical Identifiers
| CAS Number | 107679-90-3 |
|---|---|
| SMILES | CCCCCC1O[C@@H]([C@@](O1)(CN2C=NC=N2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
N,N'-Diphenylaminoiminomethanesulfonic acid (CAS 107679-90-3), with molecular formula C23H24Cl3N3O2 and molecular weight 479.09 g/mol. IUPAC: 1-[[(4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-pentyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of N,N'-Diphenylaminoiminomethanesulfonic acid
Property Insights of N,N'-Diphenylaminoiminomethanesulfonic acid
The XLogP value of 6.8283 indicates that N,N'-Diphenylaminoiminomethanesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, N,N'-Diphenylaminoiminomethanesulfonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Diphenylaminoiminomethanesulfonic acid has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-Diphenylaminoiminomethanesulfonic acid?
The CAS number of N,N'-Diphenylaminoiminomethanesulfonic acid is 107679-90-3.
What is the molecular formula of N,N'-Diphenylaminoiminomethanesulfonic acid?
The molecular formula of N,N'-Diphenylaminoiminomethanesulfonic acid is C23H24Cl3N3O2.
What is the molecular weight of N,N'-Diphenylaminoiminomethanesulfonic acid?
The molecular weight of N,N'-Diphenylaminoiminomethanesulfonic acid is 479.09 g/mol.
Where can I buy N,N'-Diphenylaminoiminomethanesulfonic acid?
You can request a quote for N,N'-Diphenylaminoiminomethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Diphenylaminoiminomethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Diphenylaminoiminomethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.