misoprostol
TL;DR: misoprostol (CAS 59122-46-2) 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-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoate
Also Known As: misoprostol, Misoprostol (SC-29333), (+/-)-methyl 11alpha,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate, 7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid methyl ester, Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11
| Molecular Formula | C22H38O5 |
|---|---|
| Molecular Weight | 382.27 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 382.2719 |
| Heavy Atoms | 27 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 59122-46-2 |
|---|---|
| SMILES | CCCCC(C)(CC=C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O |
| InChIKey | OJLOPKGSLYJEMD-LNQMSSPSSA-N |
Product Overview
misoprostol (CAS 59122-46-2), with molecular formula C22H38O5 and molecular weight 382.27 g/mol. IUPAC: methyl 7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoate.
Chemical Property Profile of misoprostol
Property Insights of misoprostol
The XLogP value of 3.7 indicates that misoprostol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for misoprostol. Following Lipinski's Rule of Five, 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 misoprostol?
The CAS number of misoprostol is 59122-46-2.
What is the molecular formula of misoprostol?
The molecular formula of misoprostol is C22H38O5.
What is the molecular weight of misoprostol?
The molecular weight of misoprostol is 382.27 g/mol.
Where can I buy misoprostol?
You can request a quote for misoprostol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for misoprostol?
Yes, KEHONG BIO provides custom synthesis services for misoprostol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.