US20250114359, Inhibitor 74
TL;DR: US20250114359, Inhibitor 74 (CAS 213019-58-0) is a chemical compound with molecular formula C42H42N4O6 and molecular weight 698.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-propan-2-yl-8-(pyridin-3-ylmethyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(pyridin-3-ylmethyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol
Also Known As: US20250114359, Inhibitor 74, J3.539.914C, (8Z,8'Z)-1,1',6,6'-tetrahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)-8,8'-bis{[(pyridin-3-ylmethyl)amino]methylidene}-2,2'-binaphthalene-7,7'(8H,8'H)-dione, (8Z,8'Z)-1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis(((pyridin-3-ylmethyl)amino)methylene)-[2,2'-binaphthalene]-7,7'(8H,8'H)-dione, 1,1 ,6,6 -Tetrahydroxy-5,5 -diisopropyl-3,3 -dimethyl-8,8 -bis[(3-pyridinyl)methylaminomethylene]-2,2 -binaphthalene-7,7 (8H,8 H)-dione
| Molecular Formula | C42H42N4O6 |
|---|---|
| Molecular Weight | 698.31 g/mol |
| LogP | 8.78544 |
| Topological Polar Surface Area | 171.88 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 698.3104 |
| Heavy Atoms | 52 |
| Complexity | 2218.9321 |
Chemical Identifiers
| CAS Number | 213019-58-0 |
|---|---|
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCC3=CN=CC=C3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NCC6=CN=CC=C6)O)O)C(C)C)O)O |
Product Overview
US20250114359, Inhibitor 74 (CAS 213019-58-0), with molecular formula C42H42N4O6 and molecular weight 698.31 g/mol. IUPAC: 3-methyl-5-propan-2-yl-8-(pyridin-3-ylmethyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(pyridin-3-ylmethyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol.
Chemical Property Profile of US20250114359, Inhibitor 74
Property Insights of US20250114359, Inhibitor 74
The XLogP value of 8.78544 indicates that US20250114359, Inhibitor 74 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.88 Ų indicates high polarity, suggesting US20250114359, Inhibitor 74 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, US20250114359, Inhibitor 74 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of US20250114359, Inhibitor 74?
The CAS number of US20250114359, Inhibitor 74 is 213019-58-0.
What is the molecular formula of US20250114359, Inhibitor 74?
The molecular formula of US20250114359, Inhibitor 74 is C42H42N4O6.
What is the molecular weight of US20250114359, Inhibitor 74?
The molecular weight of US20250114359, Inhibitor 74 is 698.31 g/mol.
Where can I buy US20250114359, Inhibitor 74?
You can request a quote for US20250114359, Inhibitor 74 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for US20250114359, Inhibitor 74?
Yes, KEHONG BIO provides custom synthesis services for US20250114359, Inhibitor 74 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.