ITA 430
TL;DR: ITA 430 (CAS 82058-27-3) is a chemical compound with molecular formula C36H37N3O2 and molecular weight 543.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
Also Known As: ITA 430, N-tert-Butyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide, 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-tert-butyl-9-oxo-2,4,6,8-tetraphenyl-, N-tert-butyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide, N-TERT-BUTYL-9-OXO-2,4,6,8-TETRA(PHENYL)-3,7-DIAZABICYCLO[3.3.1]NONANE-7-CARBOXAMIDE
| Molecular Formula | C36H37N3O2 |
|---|---|
| Molecular Weight | 543.29 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.2886 |
| Heavy Atoms | 41 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 82058-27-3 |
|---|---|
| SMILES | CC(C)(C)NC(=O)N1C(C2C(NC(C(C1C3=CC=CC=C3)C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | DOESCKXGZUBDDP-UHFFFAOYSA-N |
Product Overview
ITA 430 (CAS 82058-27-3), with molecular formula C36H37N3O2 and molecular weight 543.29 g/mol. IUPAC: N-tert-butyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
Chemical Property Profile of ITA 430
Property Insights of ITA 430
The XLogP value of 5.5 indicates that ITA 430 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ITA 430. Following Lipinski's Rule of Five, ITA 430 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 430?
The CAS number of ITA 430 is 82058-27-3.
What is the molecular formula of ITA 430?
The molecular formula of ITA 430 is C36H37N3O2.
What is the molecular weight of ITA 430?
The molecular weight of ITA 430 is 543.29 g/mol.
Where can I buy ITA 430?
You can request a quote for ITA 430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITA 430?
Yes, KEHONG BIO provides custom synthesis services for ITA 430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.