DIOX2_013662
TL;DR: DIOX2_013662 (CAS 6093-62-5) is a chemical compound with molecular formula C38H37N3O5S and molecular weight 647.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
Also Known As: DIOX2_013662, N-Benzyl-N'-{[4'-(4-[4-(hydroxymethyl)phenyl]-6-{[(1-oxo-1lambda~5~-pyridin-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl)[1,1'-biphenyl]-2-yl]methyl}urea, 1-benzyl-3-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea
| Molecular Formula | C38H37N3O5S |
|---|---|
| Molecular Weight | 647.25 g/mol |
| LogP | 6.8164 |
| Topological Polar Surface Area | 106.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 647.2454 |
| Heavy Atoms | 47 |
| Complexity | 1752.2046 |
Chemical Identifiers
| CAS Number | 6093-62-5 |
|---|---|
| SMILES | C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)NCC5=CC=CC=C5)CSC6=CC=CC=[N+]6[O-] |
Product Overview
DIOX2_013662 (CAS 6093-62-5), with molecular formula C38H37N3O5S and molecular weight 647.25 g/mol. IUPAC: 1-benzyl-3-[[2-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea.
Chemical Property Profile of DIOX2_013662
Property Insights of DIOX2_013662
The XLogP value of 6.8164 indicates that DIOX2_013662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.76 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_013662. Following Lipinski's Rule of Five, DIOX2_013662 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DIOX2_013662?
The CAS number of DIOX2_013662 is 6093-62-5.
What is the molecular formula of DIOX2_013662?
The molecular formula of DIOX2_013662 is C38H37N3O5S.
What is the molecular weight of DIOX2_013662?
The molecular weight of DIOX2_013662 is 647.25 g/mol.
Where can I buy DIOX2_013662?
You can request a quote for DIOX2_013662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_013662?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_013662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.