1X-0864
TL;DR: 1X-0864 (CAS 861207-73-0) is a chemical compound with molecular formula C25H31N3O3 and molecular weight 421.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylimino]-2-(3-oxo-1H-isoindol-2-yl)acetamide
Also Known As: 1X-0864, 2-(2-{2-[3,5-di(tert-butyl)-4-hydroxybenzyl]diazenyl}-2-oxoethyl)-1-isoindolinone, N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylimino]-2-(3-oxo-1H-isoindol-2-yl)acetamide, (nullE)-N-{[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]imino}-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
| Molecular Formula | C25H31N3O3 |
|---|---|
| Molecular Weight | 421.24 g/mol |
| LogP | 5.122 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.23654 |
| Heavy Atoms | 31 |
| Complexity | 1007.70337 |
Chemical Identifiers
| CAS Number | 861207-73-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN=NC(=O)CN2CC3=CC=CC=C3C2=O |
Product Overview
1X-0864 (CAS 861207-73-0), with molecular formula C25H31N3O3 and molecular weight 421.24 g/mol. IUPAC: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylimino]-2-(3-oxo-1H-isoindol-2-yl)acetamide.
Chemical Property Profile of 1X-0864
Property Insights of 1X-0864
The XLogP value of 5.122 indicates that 1X-0864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1X-0864. Following Lipinski's Rule of Five, 1X-0864 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1X-0864?
The CAS number of 1X-0864 is 861207-73-0.
What is the molecular formula of 1X-0864?
The molecular formula of 1X-0864 is C25H31N3O3.
What is the molecular weight of 1X-0864?
The molecular weight of 1X-0864 is 421.24 g/mol.
Where can I buy 1X-0864?
You can request a quote for 1X-0864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1X-0864?
Yes, KEHONG BIO provides custom synthesis services for 1X-0864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.