DIOX2_001017
TL;DR: DIOX2_001017 (CAS 6087-14-5) is a chemical compound with molecular formula C36H38N2O6S and molecular weight 626.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] acetate
Also Known As: DIOX2_001017, 1-({[3'-(4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[(pyridin-2-yl)sulfanyl]methyl}-1,3-dioxan-2-yl)[1,1'-biphenyl]-3-yl]methyl}amino)-1-oxopropan-2-yl acetate, [1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] acetate
| Molecular Formula | C36H38N2O6S |
|---|---|
| Molecular Weight | 626.25 g/mol |
| LogP | 6.3924 |
| Topological Polar Surface Area | 106.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 626.24506 |
| Heavy Atoms | 45 |
| Complexity | 1582.2482 |
Chemical Identifiers
| CAS Number | 6087-14-5 |
|---|---|
| SMILES | CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C(C)OC(=O)C)CSC5=CC=CC=N5 |
Product Overview
DIOX2_001017 (CAS 6087-14-5), with molecular formula C36H38N2O6S and molecular weight 626.25 g/mol. IUPAC: [1-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyridin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] acetate.
Chemical Property Profile of DIOX2_001017
Property Insights of DIOX2_001017
The XLogP value of 6.3924 indicates that DIOX2_001017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.98 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_001017. Following Lipinski's Rule of Five, DIOX2_001017 has 2 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_001017?
The CAS number of DIOX2_001017 is 6087-14-5.
What is the molecular formula of DIOX2_001017?
The molecular formula of DIOX2_001017 is C36H38N2O6S.
What is the molecular weight of DIOX2_001017?
The molecular weight of DIOX2_001017 is 626.25 g/mol.
Where can I buy DIOX2_001017?
You can request a quote for DIOX2_001017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_001017?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_001017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.