Diclofenac/Misoprostol
TL;DR: Diclofenac/Misoprostol (CAS 150389-21-2) is a chemical compound with molecular formula C36H49Cl2NO7 and molecular weight 677.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
Also Known As: Diclofenac / Misoprostol, Misoprostol / Diclofenac, Diclofenac mixture with Misoprostol
| Molecular Formula | C36H49Cl2NO7 |
|---|---|
| Molecular Weight | 677.29 g/mol |
| LogP | 8.3177 |
| Topological Polar Surface Area | 133.16 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 677.28864 |
| Heavy Atoms | 46 |
| Complexity | 1276.6145 |
Chemical Identifiers
| CAS Number | 150389-21-2 |
|---|---|
| SMILES | CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O.C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl |
Product Overview
Diclofenac/Misoprostol (CAS 150389-21-2), with molecular formula C36H49Cl2NO7 and molecular weight 677.29 g/mol. IUPAC: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate.
Chemical Property Profile of Diclofenac/Misoprostol
Property Insights of Diclofenac/Misoprostol
The XLogP value of 8.3177 indicates that Diclofenac/Misoprostol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Diclofenac/Misoprostol. Following Lipinski's Rule of Five, Diclofenac/Misoprostol has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diclofenac/Misoprostol?
The CAS number of Diclofenac/Misoprostol is 150389-21-2.
What is the molecular formula of Diclofenac/Misoprostol?
The molecular formula of Diclofenac/Misoprostol is C36H49Cl2NO7.
What is the molecular weight of Diclofenac/Misoprostol?
The molecular weight of Diclofenac/Misoprostol is 677.29 g/mol.
Where can I buy Diclofenac/Misoprostol?
You can request a quote for Diclofenac/Misoprostol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diclofenac/Misoprostol?
Yes, KEHONG BIO provides custom synthesis services for Diclofenac/Misoprostol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.