ITA 471
TL;DR: ITA 471 (CAS 82058-39-7) is a chemical compound with molecular formula C38H41N3O6 and molecular weight 635.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2,4,6,8-tetrakis(4-methoxyphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
Also Known As: ITA 471, 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetrakis(p-methoxyphenyl)-, N-ethyl-2,4,6,8-tetrakis(4-methoxyphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide, N-ETHYL-2,4,6,8-TETRAKIS(4-METHOXYPHENYL)-9-OXO-3,7-DIAZABICYCLO[3.3.1]NONANE-7-CARBOXAMIDE, N-Ethyl-2,4,6,8-tetrakis(4-methoxyphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid
| Molecular Formula | C38H41N3O6 |
|---|---|
| Molecular Weight | 635.30 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 635.29956 |
| Heavy Atoms | 47 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 82058-39-7 |
|---|---|
| SMILES | CCNC(=O)N1C(C2C(NC(C(C1C3=CC=C(C=C3)OC)C2=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC |
| InChIKey | XHYLCUXDQNYRPI-UHFFFAOYSA-N |
Product Overview
ITA 471 (CAS 82058-39-7), with molecular formula C38H41N3O6 and molecular weight 635.30 g/mol. IUPAC: N-ethyl-2,4,6,8-tetrakis(4-methoxyphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide.
Chemical Property Profile of ITA 471
Property Insights of ITA 471
The XLogP value of 4.8 indicates that ITA 471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ITA 471. Following Lipinski's Rule of Five, ITA 471 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ITA 471?
The CAS number of ITA 471 is 82058-39-7.
What is the molecular formula of ITA 471?
The molecular formula of ITA 471 is C38H41N3O6.
What is the molecular weight of ITA 471?
The molecular weight of ITA 471 is 635.30 g/mol.
Where can I buy ITA 471?
You can request a quote for ITA 471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ITA 471?
Yes, KEHONG BIO provides custom synthesis services for ITA 471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.