Pemedolac
TL;DR: Pemedolac (CAS 114031-96-8) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,4R)-4-benzyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
Also Known As: Pemedolac, DEXPEMEDOLAC, pemedolacum, Dexpemedolaco, Pemedolaco
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 4.6044 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 930.97015 |
Chemical Identifiers
| CAS Number | 114031-96-8 |
|---|---|
| SMILES | CC[C@@]1(C2=C([C@H](CO1)CC3=CC=CC=C3)C4=CC=CC=C4N2)CC(=O)O |
Product Overview
Pemedolac (CAS 114031-96-8), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: 2-[(1S,4R)-4-benzyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid.
Chemical Property Profile of Pemedolac
Property Insights of Pemedolac
The XLogP value of 4.6044 indicates that Pemedolac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Pemedolac. Following Lipinski's Rule of Five, Pemedolac has 2 hydrogen bond donor(s) and 2 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 Pemedolac?
The CAS number of Pemedolac is 114031-96-8.
What is the molecular formula of Pemedolac?
The molecular formula of Pemedolac is C22H23NO3.
What is the molecular weight of Pemedolac?
The molecular weight of Pemedolac is 349.17 g/mol.
Where can I buy Pemedolac?
You can request a quote for Pemedolac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pemedolac?
Yes, KEHONG BIO provides custom synthesis services for Pemedolac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.