RefChem:71498
TL;DR: RefChem:71498 (CAS 95823-41-9) is a chemical compound with molecular formula C15H18O8 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzene-1,3-dicarboxylic acid
Also Known As: 1,2,4-Benzenetricarboxylic acid, 1(or 2)-(2,2-bis(hydroxymethyl)butyl) 2,4(or 1,4)-bis(2-hydroxy-3-((1-oxoneodecyl)oxy)propyl) ester, mono(hydrogen 1,2-benzenedicarboxylate), 4-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzene-1,3-dicarboxylic Acid, 1,2,4-Benzenetricarboxylic acid, 1(or 2)-[2,2-bis(hydroxymethyl)butyl] 2,4(or 1,4)-bis[2-hydroxy-3-[(1-oxoneodecyl)oxy]propyl] ester, mono(hydrogen 1,2-benzenedicarboxylate), RefChem:71498
| Molecular Formula | C15H18O8 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 0.6208 |
| Topological Polar Surface Area | 141.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.10016 |
| Heavy Atoms | 23 |
| Complexity | 595.2298 |
Chemical Identifiers
| CAS Number | 95823-41-9 |
|---|---|
| SMILES | CCC(CO)(CO)COC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)O |
Product Overview
RefChem:71498 (CAS 95823-41-9), with molecular formula C15H18O8 and molecular weight 326.10 g/mol. IUPAC: 4-[2,2-bis(hydroxymethyl)butoxycarbonyl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of RefChem:71498
Property Insights of RefChem:71498
The XLogP value of 0.6208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:71498. The TPSA of 141.36 Ų indicates high polarity, suggesting RefChem:71498 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:71498 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:71498?
The CAS number of RefChem:71498 is 95823-41-9.
What is the molecular formula of RefChem:71498?
The molecular formula of RefChem:71498 is C15H18O8.
What is the molecular weight of RefChem:71498?
The molecular weight of RefChem:71498 is 326.10 g/mol.
Where can I buy RefChem:71498?
You can request a quote for RefChem:71498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:71498?
Yes, KEHONG BIO provides custom synthesis services for RefChem:71498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.