16-Methyl PGE2
TL;DR: 16-Methyl PGE2 (CAS 39746-14-0) is a chemical compound with molecular formula C21H34O5 and molecular weight 366.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Also Known As: 16-Methyl PGE2, 16-Methyl prostaglandin E2, 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid, Prosta-5,13-dien-1-oicacid, 11,15-dihydroxy-16-methyl-9-oxo-, (5Z,11a,13E,15S)- (9CI)
| Molecular Formula | C21H34O5 |
|---|---|
| Molecular Weight | 366.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 366.24063 |
| Heavy Atoms | 26 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 39746-14-0 |
|---|---|
| SMILES | CCCCC(C)[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CC=CCCCC(=O)O)O)O |
| InChIKey | IMPVDANDCDGWFM-SCWSVTQASA-N |
Product Overview
16-Methyl PGE2 (CAS 39746-14-0), with molecular formula C21H34O5 and molecular weight 366.24 g/mol. IUPAC: 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid.
Chemical Property Profile of 16-Methyl PGE2
Property Insights of 16-Methyl PGE2
The XLogP value of 3.3 indicates that 16-Methyl PGE2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Methyl PGE2. Following Lipinski's Rule of Five, 16-Methyl PGE2 has 3 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-Methyl PGE2?
The CAS number of 16-Methyl PGE2 is 39746-14-0.
What is the molecular formula of 16-Methyl PGE2?
The molecular formula of 16-Methyl PGE2 is C21H34O5.
What is the molecular weight of 16-Methyl PGE2?
The molecular weight of 16-Methyl PGE2 is 366.24 g/mol.
Where can I buy 16-Methyl PGE2?
You can request a quote for 16-Methyl PGE2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Methyl PGE2?
Yes, KEHONG BIO provides custom synthesis services for 16-Methyl PGE2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.