Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate
TL;DR: Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate (CAS 103456-50-4) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(2-hydroxy-5-methoxycarbonylphenyl)methyl] butanedioate
Also Known As: Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate, bis[2-hydroxy-5-(methoxycarbonyl)benzyl] butanedioate, Butanedioic acid,bis[[2-hydroxy-5-(methoxycarbonyl)phenyl]methyl] ester (9CI), bis[(2-hydroxy-5-methoxycarbonylphenyl)methyl] butanedioate, Bis[(2-hydroxy-5-methoxycarbonyl-phenyl)methyl] Butanedioate
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 103456-50-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)O)COC(=O)CCC(=O)OCC2=C(C=CC(=C2)C(=O)OC)O |
| InChIKey | UJFQRQNOEVIQGR-UHFFFAOYSA-N |
Product Overview
Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate (CAS 103456-50-4), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: bis[(2-hydroxy-5-methoxycarbonylphenyl)methyl] butanedioate.
Chemical Property Profile of Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate
Property Insights of Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate. The TPSA of 146.0 Ų indicates high polarity, suggesting Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate 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 Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate?
The CAS number of Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate is 103456-50-4.
What is the molecular formula of Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate?
The molecular formula of Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate is C22H22O10.
What is the molecular weight of Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate?
The molecular weight of Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate is 446.12 g/mol.
Where can I buy Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate?
You can request a quote for Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis((2-hydroxy-5-methoxycarbonylphenyl)methyl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.