ITA 434
TL;DR: ITA 434 (CAS 82058-31-9) is a chemical compound with molecular formula C37H39N3O2 and molecular weight 557.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
Also Known As: ITA 434, N-tert-Butyl-5-methyl-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-5-methyl-9-oxo-2,4,6,8-tetraphenyl-, N-tert-butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide, N-TERT-BUTYL-1-METHYL-9-OXO-2,4,6,8-TETRA(PHENYL)-3,7-DIAZABICYCLO[3.3.1]NONANE-7-CARBOXAMIDE
| Molecular Formula | C37H39N3O2 |
|---|---|
| Molecular Weight | 557.30 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 557.3042 |
| Heavy Atoms | 42 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 82058-31-9 |
|---|---|
| SMILES | CC12C(NC(C(C1=O)C(N(C2C3=CC=CC=C3)C(=O)NC(C)(C)C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | GJTLMSYMIOFFEC-UHFFFAOYSA-N |
Product Overview
ITA 434 (CAS 82058-31-9), with molecular formula C37H39N3O2 and molecular weight 557.30 g/mol. IUPAC: N-tert-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
Chemical Property Profile of ITA 434
Property Insights of ITA 434
The XLogP value of 5.9 indicates that ITA 434 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 434. Following Lipinski's Rule of Five, ITA 434 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 434?
The CAS number of ITA 434 is 82058-31-9.
What is the molecular formula of ITA 434?
The molecular formula of ITA 434 is C37H39N3O2.
What is the molecular weight of ITA 434?
The molecular weight of ITA 434 is 557.30 g/mol.
Where can I buy ITA 434?
You can request a quote for ITA 434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITA 434?
Yes, KEHONG BIO provides custom synthesis services for ITA 434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.