N,N'-Diphenylaminoiminomethanesulfonic acid
TL;DR: N,N'-Diphenylaminoiminomethanesulfonic acid (CAS 107680-09-1) is a chemical compound with molecular formula C15H20ClN3O2 and molecular weight 309.1244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-(4-chlorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentane-2,3-diol
Also Known As: N,N'-Diphenylaminoiminomethanesulfonic acid, 2,3-Pentanediol, 2-(4-chlorophenyl)-4-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-, (2S,3R)-2-(4-chlorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentane-2,3-diol, (2S,3R)-2-(4-Chlorophenyl)-4-methyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentane-2,3-diol, 2-(4-Chlorophenyl)-4-methyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentane-2,3-diol
Technical Specifications
| Molecular Formula | C15H20ClN3O2 |
| Molecular Weight | 309.1244 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.1244 Da |
| Heavy Atoms | 21 |
| Complexity | 350.0 |
| SMILES | CC(C)[C@@](CN1C=NC=N1)([C@](C)(C2=CC=C(C=C2)Cl)O)O |
| InChIKey | BPGRKWCPHNQLPC-GJZGRUSLSA-N |
Chemical Property Profile of N,N'-Diphenylaminoiminomethanesulfonic acid
Property Insights of N,N'-Diphenylaminoiminomethanesulfonic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Diphenylaminoiminomethanesulfonic acid. The TPSA of 71.2 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
What is the CAS number of N,N'-Diphenylaminoiminomethanesulfonic acid?
The CAS number of N,N'-Diphenylaminoiminomethanesulfonic acid is 107680-09-1.
What is the molecular formula of N,N'-Diphenylaminoiminomethanesulfonic acid?
The molecular formula of N,N'-Diphenylaminoiminomethanesulfonic acid is C15H20ClN3O2.
What is the molecular weight of N,N'-Diphenylaminoiminomethanesulfonic acid?
The molecular weight of N,N'-Diphenylaminoiminomethanesulfonic acid is 309.1244 g/mol.
Where can I buy N,N'-Diphenylaminoiminomethanesulfonic acid?
You can request a quote for N,N'-Diphenylaminoiminomethanesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'-Diphenylaminoiminomethanesulfonic acid?
Yes, CoreyChem provides custom synthesis services for N,N'-Diphenylaminoiminomethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.