ITA 475
TL;DR: ITA 475 (CAS 82058-42-2) is a chemical compound with molecular formula C34H29Cl4N3OS and molecular weight 667.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6,8-tetrakis(2-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Also Known As: ITA 475, 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(o-chlorophenyl)-, 2,4,6,8-tetrakis(2-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide, 2,4,6,8-Tetrakis(2-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboximidothioic acid, N-Ethyl-9-oxo-2,4,6,8-tetrakis(o-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
| Molecular Formula | C34H29Cl4N3OS |
|---|---|
| Molecular Weight | 667.08 g/mol |
| LogP | 9.1799 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 667.07855 |
| Heavy Atoms | 43 |
| Complexity | 1571.9796 |
Chemical Identifiers
| CAS Number | 82058-42-2 |
|---|---|
| SMILES | CCNC(=S)N1C(C2C(NC(C(C1C3=CC=CC=C3Cl)C2=O)C4=CC=CC=C4Cl)C5=CC=CC=C5Cl)C6=CC=CC=C6Cl |
Product Overview
ITA 475 (CAS 82058-42-2), with molecular formula C34H29Cl4N3OS and molecular weight 667.08 g/mol. IUPAC: 2,4,6,8-tetrakis(2-chlorophenyl)-N-ethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide.
Chemical Property Profile of ITA 475
Property Insights of ITA 475
The XLogP value of 9.1799 indicates that ITA 475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, ITA 475 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ITA 475 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ITA 475?
The CAS number of ITA 475 is 82058-42-2.
What is the molecular formula of ITA 475?
The molecular formula of ITA 475 is C34H29Cl4N3OS.
What is the molecular weight of ITA 475?
The molecular weight of ITA 475 is 667.08 g/mol.
Where can I buy ITA 475?
You can request a quote for ITA 475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITA 475?
Yes, KEHONG BIO provides custom synthesis services for ITA 475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.