DIOX1_000615
TL;DR: DIOX1_000615 (CAS 6084-77-1) is a chemical compound with molecular formula C46H54N4O13S and molecular weight 902.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[2-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-2-sulfanylideneethyl]oxan-2-yl]methyl acetate
Also Known As: DIOX1_000615, [3,4,5-triacetyloxy-6-[2-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-2-sulfanylideneethyl]oxan-2-yl]methyl acetate, 2-[(Acetyloxy)methyl]-6-{2-[3-(4-[4-(hydroxymethyl)phenyl]-6-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidin-1-yl]methyl}-1,3-dioxan-2-yl)anilino]-2-sulfanylideneethyl}oxane-3,4,5-triyl triacetate, 2-[(Acetyloxy)methyl]-6-{2-[3-(4-[4-(hydroxymethyl)phenyl]-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}-1,3-dioxan-2-yl)anilino]-2-sulfanylideneethyl}oxane-3,4,5-triyl triacetate
| Molecular Formula | C46H54N4O13S |
|---|---|
| Molecular Weight | 902.34 g/mol |
| LogP | 4.9594 |
| Topological Polar Surface Area | 206.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 902.3408 |
| Heavy Atoms | 64 |
| Complexity | 2360.621 |
Chemical Identifiers
| CAS Number | 6084-77-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)CC(=S)NC2=CC=CC(=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
DIOX1_000615 (CAS 6084-77-1), with molecular formula C46H54N4O13S and molecular weight 902.34 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[2-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-2-sulfanylideneethyl]oxan-2-yl]methyl acetate.
Chemical Property Profile of DIOX1_000615
Property Insights of DIOX1_000615
The XLogP value of 4.9594 indicates that DIOX1_000615 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.18 Ų indicates high polarity, suggesting DIOX1_000615 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DIOX1_000615 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DIOX1_000615?
The CAS number of DIOX1_000615 is 6084-77-1.
What is the molecular formula of DIOX1_000615?
The molecular formula of DIOX1_000615 is C46H54N4O13S.
What is the molecular weight of DIOX1_000615?
The molecular weight of DIOX1_000615 is 902.34 g/mol.
Where can I buy DIOX1_000615?
You can request a quote for DIOX1_000615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX1_000615?
Yes, KEHONG BIO provides custom synthesis services for DIOX1_000615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.