(11R,16R)-misoprostol
TL;DR: (11R,16R)-misoprostol (CAS 59122-48-4) is a chemical compound with molecular formula C22H38O5 and molecular weight 382.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
Also Known As: misoprostol, (11R,16R)-misoprostol, Misoprostol, R-isomer, methyl (11alpha,13E,16R)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate, (16R,E)-11alpha,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid methyl ester
| Molecular Formula | C22H38O5 |
|---|---|
| Molecular Weight | 382.27 g/mol |
| LogP | 3.9536 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.2719 |
| Heavy Atoms | 27 |
| Complexity | 483.09482 |
Chemical Identifiers
| CAS Number | 59122-48-4 |
|---|---|
| SMILES | CCCC[C@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O |
Product Overview
(11R,16R)-misoprostol (CAS 59122-48-4), with molecular formula C22H38O5 and molecular weight 382.27 g/mol. IUPAC: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate.
Chemical Property Profile of (11R,16R)-misoprostol
Property Insights of (11R,16R)-misoprostol
The XLogP value of 3.9536 indicates that (11R,16R)-misoprostol 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 (11R,16R)-misoprostol. Following Lipinski's Rule of Five, (11R,16R)-misoprostol 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 (11R,16R)-misoprostol?
The CAS number of (11R,16R)-misoprostol is 59122-48-4.
What is the molecular formula of (11R,16R)-misoprostol?
The molecular formula of (11R,16R)-misoprostol is C22H38O5.
What is the molecular weight of (11R,16R)-misoprostol?
The molecular weight of (11R,16R)-misoprostol is 382.27 g/mol.
Where can I buy (11R,16R)-misoprostol?
You can request a quote for (11R,16R)-misoprostol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11R,16R)-misoprostol?
Yes, KEHONG BIO provides custom synthesis services for (11R,16R)-misoprostol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.