11-deoxy-11,12-methanoprostaglandin E2
TL;DR: 11-deoxy-11,12-methanoprostaglandin E2 (CAS 102769-45-9) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-7-[(1S,2R,5R)-1-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-2-bicyclo[3.1.0]hexanyl]hept-5-enoic acid
Also Known As: 11-DM-PGE2, 11-Deoxy-11,12-methanoprostaglandin E2, (Z)-7-[(1S,2R,5R)-1-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-2-bicyclo[3.1.0]hexanyl]hept-5-enoic acid, (Z)-7-[(1R,4R,5S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4-bicyclo[3.1.0]hexanyl]hept-5-enoic acid
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 4.2803 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 521.9891 |
Chemical Identifiers
| CAS Number | 102769-45-9 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@]12C[C@@H]1CC(=O)[C@@H]2C/C=C\CCCC(=O)O)O |
Product Overview
11-deoxy-11,12-methanoprostaglandin E2 (CAS 102769-45-9), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: (Z)-7-[(1S,2R,5R)-1-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-2-bicyclo[3.1.0]hexanyl]hept-5-enoic acid.
Chemical Property Profile of 11-deoxy-11,12-methanoprostaglandin E2
Property Insights of 11-deoxy-11,12-methanoprostaglandin E2
The XLogP value of 4.2803 indicates that 11-deoxy-11,12-methanoprostaglandin E2 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-11,12-methanoprostaglandin E2. Following Lipinski's Rule of Five, 11-deoxy-11,12-methanoprostaglandin E2 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-11,12-methanoprostaglandin E2?
The CAS number of 11-deoxy-11,12-methanoprostaglandin E2 is 102769-45-9.
What is the molecular formula of 11-deoxy-11,12-methanoprostaglandin E2?
The molecular formula of 11-deoxy-11,12-methanoprostaglandin E2 is C21H32O4.
What is the molecular weight of 11-deoxy-11,12-methanoprostaglandin E2?
The molecular weight of 11-deoxy-11,12-methanoprostaglandin E2 is 348.23 g/mol.
Where can I buy 11-deoxy-11,12-methanoprostaglandin E2?
You can request a quote for 11-deoxy-11,12-methanoprostaglandin E2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-deoxy-11,12-methanoprostaglandin E2?
Yes, KEHONG BIO provides custom synthesis services for 11-deoxy-11,12-methanoprostaglandin E2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.