(RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride
TL;DR: (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride (CAS 69483-69-8) is a chemical compound with molecular formula C13H22ClN5O3 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((1-(hydroxymethyl)propyl)amino)ethyl)-, monohydrochloride, (+-)-, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((1-(hydroxymethyl)propyl)amino)ethyl)-1,3-dimethyl-, monohydrochloride, (+-)-, 7-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-{2-[(1-Hydroxybutan-2-yl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
| Molecular Formula | C13H22ClN5O3 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | -0.784 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1411 |
| Heavy Atoms | 22 |
| Complexity | 744.43915 |
Chemical Identifiers
| CAS Number | 69483-69-8 |
|---|---|
| SMILES | CCC(CO)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl |
Product Overview
(RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride (CAS 69483-69-8), with molecular formula C13H22ClN5O3 and molecular weight 331.14 g/mol. IUPAC: 7-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride
Property Insights of (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride
The XLogP value of -0.784 indicates that (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride. Following Lipinski's Rule of Five, (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol 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 (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride?
The CAS number of (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride is 69483-69-8.
What is the molecular formula of (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride?
The molecular formula of (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride is C13H22ClN5O3.
What is the molecular weight of (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride?
The molecular weight of (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride is 331.14 g/mol.
Where can I buy (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride?
You can request a quote for (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (RS)-2-N-(Theophyllinyl-7'-ethyl)-amino-1-butanol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.