DIOX2_012893
TL;DR: DIOX2_012893 (CAS 957587-01-8) is a chemical compound with molecular formula C25H28N4O6S and molecular weight 512.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid
Also Known As: DIOX2_012893, 4-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid, 4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid
| Molecular Formula | C25H28N4O6S |
|---|---|
| Molecular Weight | 512.17 g/mol |
| LogP | 3.4484 |
| Topological Polar Surface Area | 135.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.173 |
| Heavy Atoms | 36 |
| Complexity | 1185.3024 |
Chemical Identifiers
| CAS Number | 957587-01-8 |
|---|---|
| SMILES | CN1C=NN=C1SCC2CC(OC(O2)C3=CC(=CC=C3)NC(=O)CCC(=O)O)C4=CC=C(C=C4)CO |
Product Overview
DIOX2_012893 (CAS 957587-01-8), with molecular formula C25H28N4O6S and molecular weight 512.17 g/mol. IUPAC: 4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of DIOX2_012893
Property Insights of DIOX2_012893
The XLogP value of 3.4484 indicates that DIOX2_012893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.8 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_012893. Following Lipinski's Rule of Five, DIOX2_012893 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_012893?
The CAS number of DIOX2_012893 is 957587-01-8.
What is the molecular formula of DIOX2_012893?
The molecular formula of DIOX2_012893 is C25H28N4O6S.
What is the molecular weight of DIOX2_012893?
The molecular weight of DIOX2_012893 is 512.17 g/mol.
Where can I buy DIOX2_012893?
You can request a quote for DIOX2_012893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_012893?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_012893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.