DIOX-H_003954
TL;DR: DIOX-H_003954 (CAS 5216-80-8) is a chemical compound with molecular formula C41H48N4O6 and molecular weight 692.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide
Also Known As: DIOX-H_003954, N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide, N~1~-(2-Aminophenyl)-N~6~-[(3'-{4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]hexanediamide
| Molecular Formula | C41H48N4O6 |
|---|---|
| Molecular Weight | 692.36 g/mol |
| LogP | 5.8554 |
| Topological Polar Surface Area | 146.38 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 692.35736 |
| Heavy Atoms | 51 |
| Complexity | 1765.2913 |
Chemical Identifiers
| CAS Number | 5216-80-8 |
|---|---|
| SMILES | C1CN(CC1O)CC2CC(OC(O2)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCCC(=O)NC5=CC=CC=C5N)C6=CC=C(C=C6)CO |
Product Overview
DIOX-H_003954 (CAS 5216-80-8), with molecular formula C41H48N4O6 and molecular weight 692.36 g/mol. IUPAC: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide.
Chemical Property Profile of DIOX-H_003954
Property Insights of DIOX-H_003954
The XLogP value of 5.8554 indicates that DIOX-H_003954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.38 Ų indicates high polarity, suggesting DIOX-H_003954 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DIOX-H_003954 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DIOX-H_003954?
The CAS number of DIOX-H_003954 is 5216-80-8.
What is the molecular formula of DIOX-H_003954?
The molecular formula of DIOX-H_003954 is C41H48N4O6.
What is the molecular weight of DIOX-H_003954?
The molecular weight of DIOX-H_003954 is 692.36 g/mol.
Where can I buy DIOX-H_003954?
You can request a quote for DIOX-H_003954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX-H_003954?
Yes, KEHONG BIO provides custom synthesis services for DIOX-H_003954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.