3-carboxy-1-indanone methyl ester
TL;DR: 3-carboxy-1-indanone methyl ester (CAS 84330-05-2) is a chemical compound with molecular formula C17H24N4O4 and molecular weight 348.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-methyl-3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
Also Known As: 3-carboxy-1-indanone methyl ester, N-[2-methyl-5-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide, N,N'-(4-Methyl-1,3-phenylene)di(morpholine-4-carboxamide), N-[4-methyl-3-(morpholine-4-carbonylamino)phenyl]morpholine-, N-[4-methyl-3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
| Molecular Formula | C17H24N4O4 |
|---|---|
| Molecular Weight | 348.18 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.17975 |
| Heavy Atoms | 25 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 84330-05-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)N2CCOCC2)NC(=O)N3CCOCC3 |
| InChIKey | QIPAFZVKONSNSX-UHFFFAOYSA-N |
Product Overview
3-carboxy-1-indanone methyl ester (CAS 84330-05-2), with molecular formula C17H24N4O4 and molecular weight 348.18 g/mol. IUPAC: N-[4-methyl-3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide.
Chemical Property Profile of 3-carboxy-1-indanone methyl ester
Property Insights of 3-carboxy-1-indanone methyl ester
The XLogP value of -0.1 indicates that 3-carboxy-1-indanone methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-carboxy-1-indanone methyl ester. Following Lipinski's Rule of Five, 3-carboxy-1-indanone methyl ester 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 3-carboxy-1-indanone methyl ester?
The CAS number of 3-carboxy-1-indanone methyl ester is 84330-05-2.
What is the molecular formula of 3-carboxy-1-indanone methyl ester?
The molecular formula of 3-carboxy-1-indanone methyl ester is C17H24N4O4.
What is the molecular weight of 3-carboxy-1-indanone methyl ester?
The molecular weight of 3-carboxy-1-indanone methyl ester is 348.18 g/mol.
Where can I buy 3-carboxy-1-indanone methyl ester?
You can request a quote for 3-carboxy-1-indanone methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-carboxy-1-indanone methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-carboxy-1-indanone methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.