Ita 435
TL;DR: Ita 435 (CAS 82058-32-0) is a chemical compound with molecular formula C39H41N3O2 and molecular weight 583.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
Also Known As: ITA 435, N-Cyclohexyl-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-cyclohexyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-, N-cyclohexyl-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-CYCLOHEXYL-5-METHYL-9-O XO-2,4,6,8
| Molecular Formula | C39H41N3O2 |
|---|---|
| Molecular Weight | 583.32 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 583.3199 |
| Heavy Atoms | 44 |
| Complexity | 970.0 |
Chemical Identifiers
| CAS Number | 82058-32-0 |
|---|---|
| SMILES | CC12C(NC(C(C1=O)C(N(C2C3=CC=CC=C3)C(=O)NC4CCCCC4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7 |
| InChIKey | QARQMLRJUWCFKC-UHFFFAOYSA-N |
Product Overview
Ita 435 (CAS 82058-32-0), with molecular formula C39H41N3O2 and molecular weight 583.32 g/mol. IUPAC: N-cyclohexyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
Chemical Property Profile of Ita 435
Property Insights of Ita 435
The XLogP value of 6.7 indicates that Ita 435 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 435. Following Lipinski's Rule of Five, Ita 435 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 435?
The CAS number of Ita 435 is 82058-32-0.
What is the molecular formula of Ita 435?
The molecular formula of Ita 435 is C39H41N3O2.
What is the molecular weight of Ita 435?
The molecular weight of Ita 435 is 583.32 g/mol.
Where can I buy Ita 435?
You can request a quote for Ita 435 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ita 435?
Yes, KEHONG BIO provides custom synthesis services for Ita 435 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.