DIOX2_025983
TL;DR: DIOX2_025983 (CAS 6098-77-7) is a chemical compound with molecular formula C32H42N2O8 and molecular weight 582.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid
Also Known As: DIOX2_025983, 5-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid, 5-[4-(4-{[2-(tert-Butoxycarbonyl)pyrrolidin-1-yl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl)anilino]-5-oxopentanoic acid
| Molecular Formula | C32H42N2O8 |
|---|---|
| Molecular Weight | 582.29 g/mol |
| LogP | 4.7238 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 582.2941 |
| Heavy Atoms | 42 |
| Complexity | 1208.5166 |
Chemical Identifiers
| CAS Number | 6098-77-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1CCCN1CC2CC(OC(O2)C3=CC=C(C=C3)NC(=O)CCCC(=O)O)C4=CC=C(C=C4)CO |
Product Overview
DIOX2_025983 (CAS 6098-77-7), with molecular formula C32H42N2O8 and molecular weight 582.29 g/mol. IUPAC: 5-[4-[4-[4-(hydroxymethyl)phenyl]-6-[[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]methyl]-1,3-dioxan-2-yl]anilino]-5-oxopentanoic acid.
Chemical Property Profile of DIOX2_025983
Property Insights of DIOX2_025983
The XLogP value of 4.7238 indicates that DIOX2_025983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOX2_025983. Following Lipinski's Rule of Five, DIOX2_025983 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_025983?
The CAS number of DIOX2_025983 is 6098-77-7.
What is the molecular formula of DIOX2_025983?
The molecular formula of DIOX2_025983 is C32H42N2O8.
What is the molecular weight of DIOX2_025983?
The molecular weight of DIOX2_025983 is 582.29 g/mol.
Where can I buy DIOX2_025983?
You can request a quote for DIOX2_025983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOX2_025983?
Yes, KEHONG BIO provides custom synthesis services for DIOX2_025983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.