DIOX2_016343
TL;DR: DIOX2_016343 (CAS 6096-07-7) is a chemical compound with molecular formula C29H29N5O7S and molecular weight 591.18 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-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid
Also Known As: DIOX2_016343, 4-(3-{4-[4-(Hydroxymethyl)phenyl]-6-({[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1,3-dioxan-2-yl}anilino)-4-oxobutanoic acid, 4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid
| Molecular Formula | C29H29N5O7S |
|---|---|
| Molecular Weight | 591.18 g/mol |
| LogP | 4.0012 |
| Topological Polar Surface Area | 168.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 591.1788 |
| Heavy Atoms | 42 |
| Complexity | 1513.5641 |
Chemical Identifiers
| CAS Number | 6096-07-7 |
|---|---|
| SMILES | C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)CCC(=O)O)CSC4=NN=NN4C5=CC=C(C=C5)O |
Product Overview
DIOX2_016343 (CAS 6096-07-7), with molecular formula C29H29N5O7S and molecular weight 591.18 g/mol. IUPAC: 4-[3-[4-[4-(hydroxymethyl)phenyl]-6-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-dioxan-2-yl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of DIOX2_016343
Property Insights of DIOX2_016343
The XLogP value of 4.0012 indicates that DIOX2_016343 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.92 Ų indicates high polarity, suggesting DIOX2_016343 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DIOX2_016343 has 4 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 DIOX2_016343?
The CAS number of DIOX2_016343 is 6096-07-7.
What is the molecular formula of DIOX2_016343?
The molecular formula of DIOX2_016343 is C29H29N5O7S.
What is the molecular weight of DIOX2_016343?
The molecular weight of DIOX2_016343 is 591.18 g/mol.
Where can I buy DIOX2_016343?
You can request a quote for DIOX2_016343 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_016343?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_016343 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.