![[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester structure](/static/products/317/31753-00-1.png)
[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester
TL;DR: [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester (CAS 31753-00-1) is a chemical compound with molecular formula C28H30O5 and molecular weight 446.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-4-[(E)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Also Known As: [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester|[2-oxo-4-[(E)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
| Molecular Formula | C28H30O5 |
|---|---|
| Molecular Weight | 446.21 g/mol |
| LogP | 5.5362 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.20932 |
| Heavy Atoms | 33 |
| Complexity | 1008.3431 |
Chemical Identifiers
| CAS Number | 31753-00-1 |
|---|---|
| SMILES | CCCCCC(=O)/C=C/C1C(CC2C1CC(=O)O2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4 |
Product Overview
[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester (CAS 31753-00-1), with molecular formula C28H30O5 and molecular weight 446.21 g/mol. IUPAC: [2-oxo-4-[(E)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate.
Chemical Property Profile of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester
Property Insights of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester
The XLogP value of 5.5362 indicates that [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester?
The CAS number of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester is 31753-00-1.
What is the molecular formula of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester?
The molecular formula of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester is C28H30O5.
What is the molecular weight of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester?
The molecular weight of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester is 446.21 g/mol.
Where can I buy [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester?
You can request a quote for [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-oCtenyl]-2H-cyclopenta[b]furan-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.