11-deoxy-16,16-dimethyl PGE2
TL;DR: 11-deoxy-16,16-dimethyl PGE2 (CAS 53658-98-3) is a chemical compound with molecular formula C22H36O4 and molecular weight 364.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1R,2R)-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Also Known As: 11-deoxy-16,16-dimethyl PGE2, 11-deoxy-16,16-dimethyl Prostaglandin E2, Prosta-5,13-dien-1-oicacid, 15-hydroxy-16,16-dimethyl-9-oxo-, (5Z,13E,15R)-
| Molecular Formula | C22H36O4 |
|---|---|
| Molecular Weight | 364.26 g/mol |
| LogP | 4.9164 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 364.26135 |
| Heavy Atoms | 26 |
| Complexity | 504.27164 |
Chemical Identifiers
| CAS Number | 53658-98-3 |
|---|---|
| SMILES | CCCCC(C)(C)[C@@H](C=C[C@H]1CCC(=O)[C@@H]1CC=CCCCC(=O)O)O |
Product Overview
11-deoxy-16,16-dimethyl PGE2 (CAS 53658-98-3), with molecular formula C22H36O4 and molecular weight 364.26 g/mol. IUPAC: 7-[(1R,2R)-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid.
Chemical Property Profile of 11-deoxy-16,16-dimethyl PGE2
Property Insights of 11-deoxy-16,16-dimethyl PGE2
The XLogP value of 4.9164 indicates that 11-deoxy-16,16-dimethyl PGE2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-deoxy-16,16-dimethyl PGE2. Following Lipinski's Rule of Five, 11-deoxy-16,16-dimethyl PGE2 has 2 hydrogen bond donor(s) and 3 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 11-deoxy-16,16-dimethyl PGE2?
The CAS number of 11-deoxy-16,16-dimethyl PGE2 is 53658-98-3.
What is the molecular formula of 11-deoxy-16,16-dimethyl PGE2?
The molecular formula of 11-deoxy-16,16-dimethyl PGE2 is C22H36O4.
What is the molecular weight of 11-deoxy-16,16-dimethyl PGE2?
The molecular weight of 11-deoxy-16,16-dimethyl PGE2 is 364.26 g/mol.
Where can I buy 11-deoxy-16,16-dimethyl PGE2?
You can request a quote for 11-deoxy-16,16-dimethyl PGE2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-deoxy-16,16-dimethyl PGE2?
Yes, KEHONG BIO provides custom synthesis services for 11-deoxy-16,16-dimethyl PGE2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.