Deschlorobenzoylacemetacin
TL;DR: Deschlorobenzoylacemetacin (CAS 75511-23-8) is a chemical compound with molecular formula C14H15NO5 and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]oxyacetic acid
Also Known As: Deschlorobenzoylacemetacin, Indometacin Impurity 18, Carboxymethyl 5-methoxy-2-methyl-1H-indole-3-acetate, J2.327.739E, 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, carboxymethyl ester
| Molecular Formula | C14H15NO5 |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 1.65522 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.09503 |
| Heavy Atoms | 20 |
| Complexity | 658.87317 |
Chemical Identifiers
| CAS Number | 75511-23-8 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)OCC(=O)O |
Product Overview
Deschlorobenzoylacemetacin (CAS 75511-23-8), with molecular formula C14H15NO5 and molecular weight 277.10 g/mol. IUPAC: 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]oxyacetic acid.
Chemical Property Profile of Deschlorobenzoylacemetacin
Property Insights of Deschlorobenzoylacemetacin
The XLogP value of 1.65522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deschlorobenzoylacemetacin. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Deschlorobenzoylacemetacin. Following Lipinski's Rule of Five, Deschlorobenzoylacemetacin has 2 hydrogen bond donor(s) and 4 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 Deschlorobenzoylacemetacin?
The CAS number of Deschlorobenzoylacemetacin is 75511-23-8.
What is the molecular formula of Deschlorobenzoylacemetacin?
The molecular formula of Deschlorobenzoylacemetacin is C14H15NO5.
What is the molecular weight of Deschlorobenzoylacemetacin?
The molecular weight of Deschlorobenzoylacemetacin is 277.10 g/mol.
Where can I buy Deschlorobenzoylacemetacin?
You can request a quote for Deschlorobenzoylacemetacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deschlorobenzoylacemetacin?
Yes, KEHONG BIO provides custom synthesis services for Deschlorobenzoylacemetacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.