RefChem:224130
TL;DR: RefChem:224130 (CAS 71550-59-9) is a chemical compound with molecular formula C18H24O10 and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[3-(3-carboxyprop-2-enoyloxy)-2,2-dimethylpropanoyl]oxy-2,2-dimethylpropoxy]-4-oxobut-2-enoic acid
Also Known As: 2-Butenedioic acid (2Z)-, mono[3-[3-[[(2Z)-3-carboxy-1-oxo-2-propenyl]oxy]-2,2-dimethyl-1-oxopropoxy]-2,2-dimethylpropyl] ester, 3-[3-[(3-CARBOXY-1-OXOALLYL)OXY]-2,2-DIMETHYL-1-OXOPROPOXY]-2,2-DIMETHYLPROPYL MALEATE, 1-(3-(3-(((2Z)-3-Carboxy-1-oxo-2-propen-1-yl)oxy)-2,2-dimethyl-1-oxopropoxy)-2,2-dimethylpropyl) (2Z)-2-butenedioate, 1-[3-[3-[[(2Z)-3-Carboxy-1-oxo-2-propen-1-yl]oxy]-2,2-dimethyl-1-oxopropoxy]-2,2-dimethylpropyl] (2Z)-2-butenedioate, 2-Butenedioic acid (2Z)-, 1-(3-(3-(((2Z)-3-carboxy-1-oxo-2-propen-1-yl)oxy)-2,2-dimethyl-1-oxopropoxy)-2,2-dimethylpropyl) ester
| Molecular Formula | C18H24O10 |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 400.13693 |
| Heavy Atoms | 28 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 71550-59-9 |
|---|---|
| SMILES | CC(C)(COC(=O)C=CC(=O)O)COC(=O)C(C)(C)COC(=O)C=CC(=O)O |
| InChIKey | HJYGBXXJBRVGTH-UHFFFAOYSA-N |
Product Overview
RefChem:224130 (CAS 71550-59-9), with molecular formula C18H24O10 and molecular weight 400.14 g/mol. IUPAC: 4-[3-[3-(3-carboxyprop-2-enoyloxy)-2,2-dimethylpropanoyl]oxy-2,2-dimethylpropoxy]-4-oxobut-2-enoic acid.
Chemical Property Profile of RefChem:224130
Property Insights of RefChem:224130
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:224130. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:224130 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:224130 has 2 hydrogen bond donor(s) and 10 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:224130?
The CAS number of RefChem:224130 is 71550-59-9.
What is the molecular formula of RefChem:224130?
The molecular formula of RefChem:224130 is C18H24O10.
What is the molecular weight of RefChem:224130?
The molecular weight of RefChem:224130 is 400.14 g/mol.
Where can I buy RefChem:224130?
You can request a quote for RefChem:224130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:224130?
Yes, KEHONG BIO provides custom synthesis services for RefChem:224130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.