5-trans U-44069
TL;DR: 5-trans U-44069 (CAS 56985-32-1) is a chemical compound with molecular formula C21H34O4 and molecular weight 350.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1S,4R,5S,6R)-5-[(3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Also Known As: 5-trans U-44069, U-44069, 7-[(1S,4R,5S,6R)-5-[(3S)-3-Hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 56985-32-1 |
|---|---|
| SMILES | CCCCC[C@@H](C=C[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)OC2)O |
| InChIKey | DJKDIKIDYDXHDD-FSGKZVOOSA-N |
Product Overview
5-trans U-44069 (CAS 56985-32-1), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: 7-[(1S,4R,5S,6R)-5-[(3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid.
Chemical Property Profile of 5-trans U-44069
Property Insights of 5-trans U-44069
The XLogP value of 3.9 indicates that 5-trans U-44069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-trans U-44069. Following Lipinski's Rule of Five, 5-trans U-44069 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 5-trans U-44069?
The CAS number of 5-trans U-44069 is 56985-32-1.
What is the molecular formula of 5-trans U-44069?
The molecular formula of 5-trans U-44069 is C21H34O4.
What is the molecular weight of 5-trans U-44069?
The molecular weight of 5-trans U-44069 is 350.25 g/mol.
Where can I buy 5-trans U-44069?
You can request a quote for 5-trans U-44069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-trans U-44069?
Yes, KEHONG BIO provides custom synthesis services for 5-trans U-44069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.