17,17-Dimethylprostaglandin E2
TL;DR: 17,17-Dimethylprostaglandin E2 (CAS 80003-50-5) is a chemical compound with molecular formula C22H36O5 and molecular weight 380.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Also Known As: 17,17-Dimethylprostaglandin E2, 17,17-Dimethyl-PGE2, (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid, Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-17,17-dimethyl-9-oxo-, (5Z,11alpha,13E,15S)-, RefChem:79093
| Molecular Formula | C22H36O5 |
|---|---|
| Molecular Weight | 380.26 g/mol |
| LogP | 3.8872 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 380.2563 |
| Heavy Atoms | 27 |
| Complexity | 534.8212 |
Chemical Identifiers
| CAS Number | 80003-50-5 |
|---|---|
| SMILES | CCCC(C)(C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O |
Product Overview
17,17-Dimethylprostaglandin E2 (CAS 80003-50-5), with molecular formula C22H36O5 and molecular weight 380.26 g/mol. IUPAC: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid.
Chemical Property Profile of 17,17-Dimethylprostaglandin E2
Property Insights of 17,17-Dimethylprostaglandin E2
The XLogP value of 3.8872 indicates that 17,17-Dimethylprostaglandin E2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 17,17-Dimethylprostaglandin E2. Following Lipinski's Rule of Five, 17,17-Dimethylprostaglandin E2 has 3 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 17,17-Dimethylprostaglandin E2?
The CAS number of 17,17-Dimethylprostaglandin E2 is 80003-50-5.
What is the molecular formula of 17,17-Dimethylprostaglandin E2?
The molecular formula of 17,17-Dimethylprostaglandin E2 is C22H36O5.
What is the molecular weight of 17,17-Dimethylprostaglandin E2?
The molecular weight of 17,17-Dimethylprostaglandin E2 is 380.26 g/mol.
Where can I buy 17,17-Dimethylprostaglandin E2?
You can request a quote for 17,17-Dimethylprostaglandin E2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17,17-Dimethylprostaglandin E2?
Yes, KEHONG BIO provides custom synthesis services for 17,17-Dimethylprostaglandin E2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.