J1.394.694I
TL;DR: J1.394.694I (CAS 264134-40-9) is a chemical compound with molecular formula C26H29N5O5 and molecular weight 491.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[2-[[2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
Also Known As: J1.394.694I, 3-Pyridinecarboxamide, 6-(4-(2-((3-((2,3-dihydro-2-oxo-1H-benzimidazol-4-yl)oxy)-2-hydroxypropyl)amino)-2-methylpropyl)phenoxy)-, 6-(4-(2-((3-((2,3-Dihydro-2-oxo-1H-benzimidazol-4-yl)oxy)-2-hydroxypropyl)amino)-2-methylpropyl)phenoxy)-3-pyridinecarboxamide, 6-[4-[2-[[2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide, 6-[4-[2-Methyl-2-[[2-hydroxy-3-[(2,3-dihydro-2-oxo-1H-benzimidazole-4-yl)oxy]propyl]amino]propyl]phenoxy]-3-pyridinecarboxamide
| Molecular Formula | C26H29N5O5 |
|---|---|
| Molecular Weight | 491.22 g/mol |
| LogP | 2.493 |
| Topological Polar Surface Area | 155.35 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 491.21686 |
| Heavy Atoms | 36 |
| Complexity | 1376.6296 |
Chemical Identifiers
| CAS Number | 264134-40-9 |
|---|---|
| SMILES | CC(C)(CC1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)N)NCC(COC3=CC=CC4=C3NC(=O)N4)O |
Product Overview
J1.394.694I (CAS 264134-40-9), with molecular formula C26H29N5O5 and molecular weight 491.22 g/mol. IUPAC: 6-[4-[2-[[2-hydroxy-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide.
Chemical Property Profile of J1.394.694I
Property Insights of J1.394.694I
The XLogP value of 2.493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.394.694I. The TPSA of 155.35 Ų indicates high polarity, suggesting J1.394.694I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.394.694I has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.394.694I?
The CAS number of J1.394.694I is 264134-40-9.
What is the molecular formula of J1.394.694I?
The molecular formula of J1.394.694I is C26H29N5O5.
What is the molecular weight of J1.394.694I?
The molecular weight of J1.394.694I is 491.22 g/mol.
Where can I buy J1.394.694I?
You can request a quote for J1.394.694I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.394.694I?
Yes, KEHONG BIO provides custom synthesis services for J1.394.694I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.