(RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride
TL;DR: (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride (CAS 119256-88-1) is a chemical compound with molecular formula C17H31ClN6O3 and molecular weight 402.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(diethylamino)ethyl]-8-(1-hydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(diethylamino)ethyl)-1,3-dimethyl-8-((1-(hydroxymethyl)propyl)amino)-, monohydrochloride, (+-)-, 7-(2-diethylaminoethyl)-8-(1-hydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione hydrochloride, 7-[2-(Diethylamino)ethyl]-8-[(1-hydroxybutan-2-yl)imino]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione--hydrogen chloride (1/1), RefChem:239613
| Molecular Formula | C17H31ClN6O3 |
|---|---|
| Molecular Weight | 402.21 g/mol |
| LogP | 0.3801 |
| Topological Polar Surface Area | 97.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.21463 |
| Heavy Atoms | 27 |
| Complexity | 864.1466 |
Chemical Identifiers
| CAS Number | 119256-88-1 |
|---|---|
| SMILES | CCC(CO)NC1=NC2=C(N1CCN(CC)CC)C(=O)N(C(=O)N2C)C.Cl |
Product Overview
(RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride (CAS 119256-88-1), with molecular formula C17H31ClN6O3 and molecular weight 402.21 g/mol. IUPAC: 7-[2-(diethylamino)ethyl]-8-(1-hydroxybutan-2-ylamino)-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride
Property Insights of (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride
The XLogP value of 0.3801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride. The TPSA of 97.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride. Following Lipinski's Rule of Five, (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride has 2 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 (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride?
The CAS number of (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride is 119256-88-1.
What is the molecular formula of (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride?
The molecular formula of (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride is C17H31ClN6O3.
What is the molecular weight of (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride?
The molecular weight of (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride is 402.21 g/mol.
Where can I buy (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride?
You can request a quote for (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.