3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid
TL;DR: 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid (CAS 956246-69-8) is a chemical compound with molecular formula C23H26O5 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1S,2S,6S)-1-methyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid
Also Known As: 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid, 3-[(1S,2S,6S)-1-methyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid, 3-[1-methyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-prop-1-en-2-yl-1-cyclohex-3-enyl]propanoic Acid
| Molecular Formula | C23H26O5 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 4.8113 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.178 |
| Heavy Atoms | 28 |
| Complexity | 970.3617 |
Chemical Identifiers
| CAS Number | 956246-69-8 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC=C[C@@H]([C@@]1(C)CCC(=O)O)COC2=CC3=C(C=C2)C=CC(=O)O3 |
Product Overview
3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid (CAS 956246-69-8), with molecular formula C23H26O5 and molecular weight 382.18 g/mol. IUPAC: 3-[(1S,2S,6S)-1-methyl-2-[(2-oxochromen-7-yl)oxymethyl]-6-prop-1-en-2-ylcyclohex-3-en-1-yl]propanoic acid.
Chemical Property Profile of 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid
Property Insights of 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid
The XLogP value of 4.8113 indicates that 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid has 1 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-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid?
The CAS number of 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid is 956246-69-8.
What is the molecular formula of 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid?
The molecular formula of 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid is C23H26O5.
What is the molecular weight of 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid?
The molecular weight of 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid is 382.18 g/mol.
Where can I buy 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid?
You can request a quote for 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-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-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((1S,2S,6S)-1-methyl-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.