![7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid structure](/static/products/8040/80408-46-4.webp)
7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
TL;DR: 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid (CAS 80408-46-4) is a chemical compound with molecular formula C21H34O3S and molecular weight 366.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1R,2S,3S,5R)-3-[(3R)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Also Known As: 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid, 7-{(1R,2S,3S,5R)-3-[(3R)-3-Hydroxyoct-1-en-1-yl]-6-thiabicyclo[3.1.1]heptan-2-yl}hept-5-enoic acid
| Molecular Formula | C21H34O3S |
|---|---|
| Molecular Weight | 366.22 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 366.22287 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 80408-46-4 |
|---|---|
| SMILES | CCCCC[C@H](C=C[C@@H]1C[C@@H]2C[C@H]([C@H]1CC=CCCCC(=O)O)S2)O |
| InChIKey | OVGWMUWIRHGGJP-LTFPLMDUSA-N |
Product Overview
7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid (CAS 80408-46-4), with molecular formula C21H34O3S and molecular weight 366.22 g/mol. IUPAC: 7-[(1R,2S,3S,5R)-3-[(3R)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid.
Chemical Property Profile of 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
Property Insights of 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
The XLogP value of 4.9 indicates that 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid. Following Lipinski's Rule of Five, 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic 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 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid?
The CAS number of 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid is 80408-46-4.
What is the molecular formula of 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid?
The molecular formula of 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid is C21H34O3S.
What is the molecular weight of 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid?
The molecular weight of 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid is 366.22 g/mol.
Where can I buy 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid?
You can request a quote for 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-(3-Hydroxyoct-1-en-1-yl)-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.