ITA 437
TL;DR: ITA 437 (CAS 82058-34-2) is a chemical compound with molecular formula C35H33N3OS and molecular weight 543.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
Also Known As: ITA 437, N-Allyl-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-allyl-9-oxo-2,4,6,8-tetraphenyl-, 9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide, N-Allyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
| Molecular Formula | C35H33N3OS |
|---|---|
| Molecular Weight | 543.23 g/mol |
| LogP | 6.7324 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.23444 |
| Heavy Atoms | 40 |
| Complexity | 1363.0361 |
Chemical Identifiers
| CAS Number | 82058-34-2 |
|---|---|
| SMILES | C=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 437 (CAS 82058-34-2), with molecular formula C35H33N3OS and molecular weight 543.23 g/mol. IUPAC: 9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide.
Chemical Property Profile of ITA 437
Property Insights of ITA 437
The XLogP value of 6.7324 indicates that ITA 437 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 437 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ITA 437 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 437?
The CAS number of ITA 437 is 82058-34-2.
What is the molecular formula of ITA 437?
The molecular formula of ITA 437 is C35H33N3OS.
What is the molecular weight of ITA 437?
The molecular weight of ITA 437 is 543.23 g/mol.
Where can I buy ITA 437?
You can request a quote for ITA 437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITA 437?
Yes, KEHONG BIO provides custom synthesis services for ITA 437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.