DIOX-H_004526
TL;DR: DIOX-H_004526 (CAS 5217-98-1) is a chemical compound with molecular formula C33H37N5O6S and molecular weight 631.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-hydroxy-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pentanediamide
Also Known As: DIOX-H_004526, N'-hydroxy-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pentanediamide, N~1~-Hydroxy-N~5~-{[3'-(4-[4-(hydroxymethyl)phenyl]-6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-dioxan-2-yl)[1,1'-biphenyl]-3-yl]methyl}pentanediamide
| Molecular Formula | C33H37N5O6S |
|---|---|
| Molecular Weight | 631.25 g/mol |
| LogP | 4.604 |
| Topological Polar Surface Area | 147.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 631.24646 |
| Heavy Atoms | 45 |
| Complexity | 1579.8229 |
Chemical Identifiers
| CAS Number | 5217-98-1 |
|---|---|
| SMILES | CN1C=NN=C1SCC2CC(OC(O2)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCC(=O)NO)C5=CC=C(C=C5)CO |
Product Overview
DIOX-H_004526 (CAS 5217-98-1), with molecular formula C33H37N5O6S and molecular weight 631.25 g/mol. IUPAC: N'-hydroxy-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pentanediamide.
Chemical Property Profile of DIOX-H_004526
Property Insights of DIOX-H_004526
The XLogP value of 4.604 indicates that DIOX-H_004526 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.83 Ų indicates high polarity, suggesting DIOX-H_004526 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DIOX-H_004526 has 4 hydrogen bond donor(s) and 9 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_004526?
The CAS number of DIOX-H_004526 is 5217-98-1.
What is the molecular formula of DIOX-H_004526?
The molecular formula of DIOX-H_004526 is C33H37N5O6S.
What is the molecular weight of DIOX-H_004526?
The molecular weight of DIOX-H_004526 is 631.25 g/mol.
Where can I buy DIOX-H_004526?
You can request a quote for DIOX-H_004526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX-H_004526?
Yes, KEHONG BIO provides custom synthesis services for DIOX-H_004526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.