1-(4'-Carboxybutyl)-3,7-dimethylxanthine
TL;DR: 1-(4'-Carboxybutyl)-3,7-dimethylxanthine (CAS 38975-44-9) is a chemical compound with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoic acid
Also Known As: Pentoxifylline M4, 1-(4'-Carboxybutyl)-3,7-dimethylxanthine, starbld0001301, 1-(4-carboxybutyl)-3,7-dimethylxanthine, 4-Hydroxy-1-naphthoic acid
| Molecular Formula | C12H16N4O4 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | -0.3114 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.11716 |
| Heavy Atoms | 20 |
| Complexity | 768.08093 |
Chemical Identifiers
| CAS Number | 38975-44-9 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)O |
Product Overview
1-(4'-Carboxybutyl)-3,7-dimethylxanthine (CAS 38975-44-9), with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol. IUPAC: 5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentanoic acid.
Chemical Property Profile of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine
Property Insights of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine
The XLogP value of -0.3114 indicates that 1-(4'-Carboxybutyl)-3,7-dimethylxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4'-Carboxybutyl)-3,7-dimethylxanthine. Following Lipinski's Rule of Five, 1-(4'-Carboxybutyl)-3,7-dimethylxanthine has 1 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 1-(4'-Carboxybutyl)-3,7-dimethylxanthine?
The CAS number of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine is 38975-44-9.
What is the molecular formula of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine?
The molecular formula of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine is C12H16N4O4.
What is the molecular weight of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine?
The molecular weight of 1-(4'-Carboxybutyl)-3,7-dimethylxanthine is 280.12 g/mol.
Where can I buy 1-(4'-Carboxybutyl)-3,7-dimethylxanthine?
You can request a quote for 1-(4'-Carboxybutyl)-3,7-dimethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4'-Carboxybutyl)-3,7-dimethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4'-Carboxybutyl)-3,7-dimethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.