3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid
TL;DR: 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid (CAS 364062-49-7) is a chemical compound with molecular formula C18H26O9 and molecular weight 386.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[8,8-bis(2-carboxyethyl)-8a-hydroxy-2-oxo-4,5,6,7-tetrahydro-3H-chromen-4a-yl]propanoic acid
Also Known As: 3,3',3''-(8a-hydroxy-2-oxohexahydro-2H-chromene-4a,8,8(5H)-triyl)tripropanoic acid, 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid, 3-[4a,8-bis(2-carboxyethyl)-8a-hydroxy-2-oxo-4,5,6,7-tetrahydro-3H-chromen-8-yl]propanoic Acid, 3-[8,8-bis(2-carboxyethyl)-8a-hydroxy-2-oxo-4,5,6,7-tetrahydro-3H-chromen-4a-yl]propanoic acid
| Molecular Formula | C18H26O9 |
|---|---|
| Molecular Weight | 386.16 g/mol |
| LogP | 1.7631 |
| Topological Polar Surface Area | 158.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.15768 |
| Heavy Atoms | 27 |
| Complexity | 610.32184 |
Chemical Identifiers
| CAS Number | 364062-49-7 |
|---|---|
| SMILES | C1CC2(CCC(=O)OC2(C(C1)(CCC(=O)O)CCC(=O)O)O)CCC(=O)O |
Product Overview
3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid (CAS 364062-49-7), with molecular formula C18H26O9 and molecular weight 386.16 g/mol. IUPAC: 3-[8,8-bis(2-carboxyethyl)-8a-hydroxy-2-oxo-4,5,6,7-tetrahydro-3H-chromen-4a-yl]propanoic acid.
Chemical Property Profile of 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid
Property Insights of 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid
The XLogP value of 1.7631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid. The TPSA of 158.43 Ų indicates high polarity, suggesting 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid 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 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid?
The CAS number of 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid is 364062-49-7.
What is the molecular formula of 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid?
The molecular formula of 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid is C18H26O9.
What is the molecular weight of 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid?
The molecular weight of 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid is 386.16 g/mol.
Where can I buy 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid?
You can request a quote for 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3',3''-(8a-hydroxy-2-oxooctahydro-2H-chromene-4a,8,8-triyl)tripropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.