N-trityl-aniline
TL;DR: N-trityl-aniline (CAS 4471-37-8) is a chemical compound with molecular formula C31H15NNa2O9S2 and molecular weight 655.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(27-oxo-6-sulfonatooxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5,7,9,11,13,17,19,21,23,25,28(32),29-pentadecaen-13-yl) sulfate
Also Known As: N-trityl-aniline, Anthra(2,1,9-mna)naphth(2,3-h)acridin-5(16H)-one, 10,15-bis(sulfooxy)-, disodium salt, Anthra[2,1,9-mna]naphth[2,3-h]acridin-5(16H)-one, 10,15-bis(sulfooxy)-, disodium salt, disodium 5-oxo-5,16-dihydroanthra[2,1,9-mna]naphtho[2,3-h]acridine-10,15-diyl disulfate, 10,15-Dihydroxyanthra(2,1,9-mna)naphth(2,3-h)acridin-5(16H)-one disodium bis(sulphate)
| Molecular Formula | C31H15NNa2O9S2 |
|---|---|
| Molecular Weight | 655.00 g/mol |
| LogP | -0.43 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 654.99835 |
| Heavy Atoms | 45 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 4471-37-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=C4C5=C(C=CC(=C35)C2=O)C6=C(N4)C7=C(C8=CC=CC=C8C(=C7C=C6)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | BXBQXPFZFLGRAQ-UHFFFAOYSA-L |
Product Overview
N-trityl-aniline (CAS 4471-37-8), with molecular formula C31H15NNa2O9S2 and molecular weight 655.00 g/mol. IUPAC: disodium;(27-oxo-6-sulfonatooxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1(31),2(15),3,5,7,9,11,13,17,19,21,23,25,28(32),29-pentadecaen-13-yl) sulfate.
Chemical Property Profile of N-trityl-aniline
Property Insights of N-trityl-aniline
The XLogP value of -0.43 indicates that N-trityl-aniline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting N-trityl-aniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-trityl-aniline has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-trityl-aniline?
The CAS number of N-trityl-aniline is 4471-37-8.
What is the molecular formula of N-trityl-aniline?
The molecular formula of N-trityl-aniline is C31H15NNa2O9S2.
What is the molecular weight of N-trityl-aniline?
The molecular weight of N-trityl-aniline is 655.00 g/mol.
Where can I buy N-trityl-aniline?
You can request a quote for N-trityl-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-trityl-aniline?
Yes, KEHONG BIO provides custom synthesis services for N-trityl-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.