7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride
TL;DR: 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride (CAS 130187-64-3) is a chemical compound with molecular formula C21H31ClN6O2 and molecular weight 434.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-[3-(butylamino)propylamino]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-8-((3-(butylamino)propyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, monohydrochloride, 7-benzyl-8-[3-(butylamino)propylamino]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-Benzyl-8-{[3-(butylamino)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:239639
| Molecular Formula | C21H31ClN6O2 |
|---|---|
| Molecular Weight | 434.22 g/mol |
| LogP | 2.0955 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 434.2197 |
| Heavy Atoms | 30 |
| Complexity | 1071.0206 |
Chemical Identifiers
| CAS Number | 130187-64-3 |
|---|---|
| SMILES | CCCCNCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C.Cl |
Product Overview
7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride (CAS 130187-64-3), with molecular formula C21H31ClN6O2 and molecular weight 434.22 g/mol. IUPAC: 7-benzyl-8-[3-(butylamino)propylamino]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride
Property Insights of 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride
The XLogP value of 2.0955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride. Following Lipinski's Rule of Five, 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride has 2 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 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride?
The CAS number of 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride is 130187-64-3.
What is the molecular formula of 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride?
The molecular formula of 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride is C21H31ClN6O2.
What is the molecular weight of 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride?
The molecular weight of 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride is 434.22 g/mol.
Where can I buy 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride?
You can request a quote for 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-(3-n-butylaminopropyl)aminotheophylline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.