ITA 431
TL;DR: ITA 431 (CAS 82058-28-4) is a chemical compound with molecular formula C38H39N3O2 and molecular weight 569.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
Also Known As: ITA 431, N-Cyclohexyl-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-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-, N-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide, N-CYCLOHEXYL-9-OXO-2,4,6,8-TETRA(PHENYL)-3,7-DIAZABICYCLO[3.3.1]NONANE-7-CARBOXAMIDE
| Molecular Formula | C38H39N3O2 |
|---|---|
| Molecular Weight | 569.30 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 569.3042 |
| Heavy Atoms | 43 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 82058-28-4 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)N2C(C3C(NC(C(C2C4=CC=CC=C4)C3=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7 |
| InChIKey | XJEDJDYJFNUOLS-UHFFFAOYSA-N |
Product Overview
ITA 431 (CAS 82058-28-4), with molecular formula C38H39N3O2 and molecular weight 569.30 g/mol. IUPAC: N-cyclohexyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
Chemical Property Profile of ITA 431
Property Insights of ITA 431
The XLogP value of 6.3 indicates that ITA 431 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 431. Following Lipinski's Rule of Five, ITA 431 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 431?
The CAS number of ITA 431 is 82058-28-4.
What is the molecular formula of ITA 431?
The molecular formula of ITA 431 is C38H39N3O2.
What is the molecular weight of ITA 431?
The molecular weight of ITA 431 is 569.30 g/mol.
Where can I buy ITA 431?
You can request a quote for ITA 431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITA 431?
Yes, KEHONG BIO provides custom synthesis services for ITA 431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.