ITA 436
TL;DR: ITA 436 (CAS 82058-33-1) is a chemical compound with molecular formula C34H33N3OS and molecular weight 531.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Also Known As: ITA 436, N-Ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-thiocarboxamide, 3,7-Diazabicyclo(3.3.1)nonane-3-thiocarboxamide, N-ethyl-9-oxo-2,4,6,8-tetraphenyl-, N-ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide, N-Ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidothioic acid
| Molecular Formula | C34H33N3OS |
|---|---|
| Molecular Weight | 531.23 g/mol |
| LogP | 6.5663 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.23444 |
| Heavy Atoms | 39 |
| Complexity | 1315.3022 |
Chemical Identifiers
| CAS Number | 82058-33-1 |
|---|---|
| SMILES | CCNC(=S)N1C(C2C(NC(C(C1C3=CC=CC=C3)C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
ITA 436 (CAS 82058-33-1), with molecular formula C34H33N3OS and molecular weight 531.23 g/mol. IUPAC: N-ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide.
Chemical Property Profile of ITA 436
Property Insights of ITA 436
The XLogP value of 6.5663 indicates that ITA 436 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 436 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ITA 436 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 436?
The CAS number of ITA 436 is 82058-33-1.
What is the molecular formula of ITA 436?
The molecular formula of ITA 436 is C34H33N3OS.
What is the molecular weight of ITA 436?
The molecular weight of ITA 436 is 531.23 g/mol.
Where can I buy ITA 436?
You can request a quote for ITA 436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITA 436?
Yes, KEHONG BIO provides custom synthesis services for ITA 436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.