DIOX1_001729
TL;DR: DIOX1_001729 (CAS 6085-87-6) is a chemical compound with molecular formula C31H33N5O6S and molecular weight 603.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5-phenyl-1,3-dioxan-2-yl]anilino]-1-oxopropan-2-yl] acetate
Also Known As: DIOX1_001729, [1-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5-phenyl-1,3-dioxan-2-yl]anilino]-1-oxopropan-2-yl] acetate, 1-[3-(4-[4-(Hydroxymethyl)phenyl]-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-5-phenyl-1,3-dioxan-2-yl)anilino]-1-oxopropan-2-yl acetate
| Molecular Formula | C31H33N5O6S |
|---|---|
| Molecular Weight | 603.22 g/mol |
| LogP | 4.3239 |
| Topological Polar Surface Area | 137.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 603.21515 |
| Heavy Atoms | 43 |
| Complexity | 1533.1874 |
Chemical Identifiers
| CAS Number | 6085-87-6 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=CC(=C1)C2OC(C(C(O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CSC5=NN=NN5C)OC(=O)C |
Product Overview
DIOX1_001729 (CAS 6085-87-6), with molecular formula C31H33N5O6S and molecular weight 603.22 g/mol. IUPAC: [1-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5-phenyl-1,3-dioxan-2-yl]anilino]-1-oxopropan-2-yl] acetate.
Chemical Property Profile of DIOX1_001729
Property Insights of DIOX1_001729
The XLogP value of 4.3239 indicates that DIOX1_001729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.69 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX1_001729. Following Lipinski's Rule of Five, DIOX1_001729 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DIOX1_001729?
The CAS number of DIOX1_001729 is 6085-87-6.
What is the molecular formula of DIOX1_001729?
The molecular formula of DIOX1_001729 is C31H33N5O6S.
What is the molecular weight of DIOX1_001729?
The molecular weight of DIOX1_001729 is 603.22 g/mol.
Where can I buy DIOX1_001729?
You can request a quote for DIOX1_001729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX1_001729?
Yes, KEHONG BIO provides custom synthesis services for DIOX1_001729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.