3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid
TL;DR: 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid (CAS 374701-15-2) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydrochromen-4a-yl)propanoic acid
Also Known As: 3-(8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydrochromen-4a-yl)propanoic Acid, 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid, 3-(8a-hydroxy-2-oxohexahydro-2H-chromen-4a(5H)-yl)propanoic acid
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 1.4372 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 339.7877 |
Chemical Identifiers
| CAS Number | 374701-15-2 |
|---|---|
| SMILES | C1CCC2(C(C1)(CCC(=O)O2)CCC(=O)O)O |
Product Overview
3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid (CAS 374701-15-2), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: 3-(8a-hydroxy-2-oxo-3,4,5,6,7,8-hexahydrochromen-4a-yl)propanoic acid.
Chemical Property Profile of 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid
Property Insights of 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid
The XLogP value of 1.4372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid has 2 hydrogen bond donor(s) and 4 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-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid?
The CAS number of 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid is 374701-15-2.
What is the molecular formula of 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid?
The molecular formula of 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid is C12H18O5.
What is the molecular weight of 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid?
The molecular weight of 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid is 242.12 g/mol.
Where can I buy 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid?
You can request a quote for 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(8a-hydroxy-2-oxooctahydro-2H-chromen-4a-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.