N,N'-Diphenylaminoiminomethanesulfonic acid
TL;DR: N,N'-Diphenylaminoiminomethanesulfonic acid (CAS 107680-06-8) is a chemical compound with molecular formula C15H19Cl2N3O2 and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-(2,4-dichlorophenyl)-3,4-dimethyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol
Also Known As: N,N'-Diphenylaminoiminomethanesulfonic acid, 2,3-Pentanediol, 2-(2,4-dichlorophenyl)-3,4-dimethyl-1-(1H-1,2,4-triazol-1-yl)-, (3R,2R)-, (2R,3R)-2-(2,4-dichlorophenyl)-3,4-dimethyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol, 2,3-Pentanediol,2-(2,4-dichlorophenyl)-3,4-dimethyl-1-(1H-1,2,4-triazol-1-yl)-, (R*,R*)- (9CI)
| Molecular Formula | C15H19Cl2N3O2 |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 2.8797 |
| Topological Polar Surface Area | 71.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.08542 |
| Heavy Atoms | 22 |
| Complexity | 644.24207 |
Chemical Identifiers
| CAS Number | 107680-06-8 |
|---|---|
| SMILES | CC(C)[C@](C)([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O)O |
Product Overview
N,N'-Diphenylaminoiminomethanesulfonic acid (CAS 107680-06-8), with molecular formula C15H19Cl2N3O2 and molecular weight 343.09 g/mol. IUPAC: (2R,3R)-2-(2,4-dichlorophenyl)-3,4-dimethyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol.
Chemical Property Profile of N,N'-Diphenylaminoiminomethanesulfonic acid
Property Insights of N,N'-Diphenylaminoiminomethanesulfonic acid
The XLogP value of 2.8797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Diphenylaminoiminomethanesulfonic acid. The TPSA of 71.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Diphenylaminoiminomethanesulfonic acid. Following Lipinski's Rule of Five, N,N'-Diphenylaminoiminomethanesulfonic acid has 2 hydrogen bond donor(s) and 4 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'-Diphenylaminoiminomethanesulfonic acid?
The CAS number of N,N'-Diphenylaminoiminomethanesulfonic acid is 107680-06-8.
What is the molecular formula of N,N'-Diphenylaminoiminomethanesulfonic acid?
The molecular formula of N,N'-Diphenylaminoiminomethanesulfonic acid is C15H19Cl2N3O2.
What is the molecular weight of N,N'-Diphenylaminoiminomethanesulfonic acid?
The molecular weight of N,N'-Diphenylaminoiminomethanesulfonic acid is 343.09 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.