16,16-Dimethylprostaglandin E2 methyl ester
TL;DR: 16,16-Dimethylprostaglandin E2 methyl ester (CAS 42782-96-7) is a chemical compound with molecular formula C23H38O5 and molecular weight 394.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Also Known As: 16,16-Dimethyl-pge2 methyl ester, 16,16-Dimethylprostaglandin E2 methyl ester, methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
| Molecular Formula | C23H38O5 |
|---|---|
| Molecular Weight | 394.27 g/mol |
| LogP | 3.9756 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 394.2719 |
| Heavy Atoms | 28 |
| Complexity | 549.1959 |
Chemical Identifiers
| CAS Number | 42782-96-7 |
|---|---|
| SMILES | CCCCC(C)(C)C(/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O)O |
Product Overview
16,16-Dimethylprostaglandin E2 methyl ester (CAS 42782-96-7), with molecular formula C23H38O5 and molecular weight 394.27 g/mol. IUPAC: methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoate.
Chemical Property Profile of 16,16-Dimethylprostaglandin E2 methyl ester
Property Insights of 16,16-Dimethylprostaglandin E2 methyl ester
The XLogP value of 3.9756 indicates that 16,16-Dimethylprostaglandin E2 methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 16,16-Dimethylprostaglandin E2 methyl ester. Following Lipinski's Rule of Five, 16,16-Dimethylprostaglandin E2 methyl ester has 2 hydrogen bond donor(s) and 5 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 16,16-Dimethylprostaglandin E2 methyl ester?
The CAS number of 16,16-Dimethylprostaglandin E2 methyl ester is 42782-96-7.
What is the molecular formula of 16,16-Dimethylprostaglandin E2 methyl ester?
The molecular formula of 16,16-Dimethylprostaglandin E2 methyl ester is C23H38O5.
What is the molecular weight of 16,16-Dimethylprostaglandin E2 methyl ester?
The molecular weight of 16,16-Dimethylprostaglandin E2 methyl ester is 394.27 g/mol.
Where can I buy 16,16-Dimethylprostaglandin E2 methyl ester?
You can request a quote for 16,16-Dimethylprostaglandin E2 methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16,16-Dimethylprostaglandin E2 methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 16,16-Dimethylprostaglandin E2 methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.