4-beta-Carboxymethyl-(-)-epicatechin
TL;DR: 4-beta-Carboxymethyl-(-)-epicatechin (CAS 126655-10-5) is a chemical compound with molecular formula C17H16O8 and molecular weight 348.0845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromen-2-yl]acetic acid
Also Known As: 4-beta-Carboxymethyl-(-)-epicatechin, [2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]acetic acid, 2-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromen-2-yl]acetic acid
Technical Specifications
| Molecular Formula | C17H16O8 |
| Molecular Weight | 348.0845 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0845 Da |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)(CC(=O)O)C3=CC(=C(C=C3)O)O)O |
| InChIKey | QWYWQMMZJQSQDR-UHFFFAOYSA-N |
Chemical Property Profile of 4-beta-Carboxymethyl-(-)-epicatechin
Property Insights of 4-beta-Carboxymethyl-(-)-epicatechin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-beta-Carboxymethyl-(-)-epicatechin. The TPSA of 148.0 Ų indicates high polarity, suggesting 4-beta-Carboxymethyl-(-)-epicatechin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-beta-Carboxymethyl-(-)-epicatechin has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-beta-Carboxymethyl-(-)-epicatechin?
The CAS number of 4-beta-Carboxymethyl-(-)-epicatechin is 126655-10-5.
What is the molecular formula of 4-beta-Carboxymethyl-(-)-epicatechin?
The molecular formula of 4-beta-Carboxymethyl-(-)-epicatechin is C17H16O8.
What is the molecular weight of 4-beta-Carboxymethyl-(-)-epicatechin?
The molecular weight of 4-beta-Carboxymethyl-(-)-epicatechin is 348.0845 g/mol.
Where can I buy 4-beta-Carboxymethyl-(-)-epicatechin?
You can request a quote for 4-beta-Carboxymethyl-(-)-epicatechin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-beta-Carboxymethyl-(-)-epicatechin?
Yes, CoreyChem provides custom synthesis services for 4-beta-Carboxymethyl-(-)-epicatechin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.