DIOX2_018802
TL;DR: DIOX2_018802 (CAS 6093-04-5) is a chemical compound with molecular formula C47H53N3O7S and molecular weight 803.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
Also Known As: DIOX2_018802, N-{[4'-(4-[4-(Hydroxymethyl)phenyl]-6-{[2-(methoxymethyl)pyrrolidin-1-yl]methyl}-1,3-dioxan-2-yl)[1,1'-biphenyl]-3-yl]methyl}-Nalpha-(4-methylbenzene-1-sulfonyl)phenylalaninamide, N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
| Molecular Formula | C47H53N3O7S |
|---|---|
| Molecular Weight | 803.36 g/mol |
| LogP | 7.01652 |
| Topological Polar Surface Area | 126.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 803.3604 |
| Heavy Atoms | 58 |
| Complexity | 2200.5657 |
Chemical Identifiers
| CAS Number | 6093-04-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC(=CC=C3)C4=CC=C(C=C4)C5OC(CC(O5)C6=CC=C(C=C6)CO)CN7CCCC7COC |
Product Overview
DIOX2_018802 (CAS 6093-04-5), with molecular formula C47H53N3O7S and molecular weight 803.36 g/mol. IUPAC: N-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.
Chemical Property Profile of DIOX2_018802
Property Insights of DIOX2_018802
The XLogP value of 7.01652 indicates that DIOX2_018802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.43 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_018802. Following Lipinski's Rule of Five, DIOX2_018802 has 3 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 DIOX2_018802?
The CAS number of DIOX2_018802 is 6093-04-5.
What is the molecular formula of DIOX2_018802?
The molecular formula of DIOX2_018802 is C47H53N3O7S.
What is the molecular weight of DIOX2_018802?
The molecular weight of DIOX2_018802 is 803.36 g/mol.
Where can I buy DIOX2_018802?
You can request a quote for DIOX2_018802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_018802?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_018802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.