RefChem:240473
TL;DR: RefChem:240473 (CAS 98617-19-7) is a chemical compound with molecular formula C24H26N6O4 and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamide
Also Known As: 7-(1-Methyl-5-p-methylbenzoylpyrrole-2-acetamidoethyl)theophylline, 1H-Pyrrole-2-acetamide, 1-methyl-5-(4-methylbenzoyl)-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, N-[2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]-2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetamide, N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamide, RefChem:240473
| Molecular Formula | C24H26N6O4 |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 0.67052 |
| Topological Polar Surface Area | 112.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.20154 |
| Heavy Atoms | 34 |
| Complexity | 1518.0603 |
Chemical Identifiers
| CAS Number | 98617-19-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)NCCN3C=NC4=C3C(=O)N(C(=O)N4C)C |
Product Overview
RefChem:240473 (CAS 98617-19-7), with molecular formula C24H26N6O4 and molecular weight 462.20 g/mol. IUPAC: N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetamide.
Chemical Property Profile of RefChem:240473
Property Insights of RefChem:240473
The XLogP value of 0.67052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:240473. The TPSA of 112.92 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:240473. Following Lipinski's Rule of Five, RefChem:240473 has 1 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 RefChem:240473?
The CAS number of RefChem:240473 is 98617-19-7.
What is the molecular formula of RefChem:240473?
The molecular formula of RefChem:240473 is C24H26N6O4.
What is the molecular weight of RefChem:240473?
The molecular weight of RefChem:240473 is 462.20 g/mol.
Where can I buy RefChem:240473?
You can request a quote for RefChem:240473 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:240473?
Yes, KEHONG BIO provides custom synthesis services for RefChem:240473 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.