7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride
TL;DR: 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride (CAS 98402-29-0) is a chemical compound with molecular formula C15H23ClN6O3 and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((3,4-dihydro-2H-pyrrol-5-yl)methylamino)-2-hydroxypropyl)-1,3-dimethyl-, monohydrochloride, 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxyprop, 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-{3-[(3,4-Dihydro-2H-pyrrol-5-yl)(methyl)amino]-2-hydroxypropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
| Molecular Formula | C15H23ClN6O3 |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | -0.6595 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.152 |
| Heavy Atoms | 25 |
| Complexity | 912.3531 |
Chemical Identifiers
| CAS Number | 98402-29-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=NCCC3)O.Cl |
Product Overview
7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride (CAS 98402-29-0), with molecular formula C15H23ClN6O3 and molecular weight 370.15 g/mol. IUPAC: 7-[3-[3,4-dihydro-2H-pyrrol-5-yl(methyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride
Property Insights of 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride
The XLogP value of -0.6595 indicates that 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride. Following Lipinski's Rule of Five, 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride has 1 hydrogen bond donor(s) and 6 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-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride?
The CAS number of 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride is 98402-29-0.
What is the molecular formula of 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride?
The molecular formula of 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride is C15H23ClN6O3.
What is the molecular weight of 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride?
The molecular weight of 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride is 370.15 g/mol.
Where can I buy 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride?
You can request a quote for 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Hydroxy-3-((3H,4,5-dihydropyrrolyl-2)methylamino)propyl)theophylline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.