Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-
TL;DR: Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- (CAS 5651-60-5) is a chemical compound with molecular formula C12H18N6O3 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[amino(2-hydroxyethyl)amino]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-, 7-Allyl-8-(1-(2-hydroxyethyl)hydrazino)theophylline, 5-26-18-00550 (Beilstein Handbook Reference), N-(beta-Hydroxyethyl)-N-(7-allyltheophyllinyl-8)-hydrazine, N-(beta-Hydroksyetylo)-N-(7-alliloteofilinylo-8)-hydrazyna
| Molecular Formula | C12H18N6O3 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.14404 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 5651-60-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(CCO)N)CC=C |
| InChIKey | LVZHNCNPYSPMAV-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- (CAS 5651-60-5), with molecular formula C12H18N6O3 and molecular weight 294.14 g/mol. IUPAC: 8-[amino(2-hydroxyethyl)amino]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-
Property Insights of Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-
The XLogP value of -0.7 indicates that Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-. Following Lipinski's Rule of Five, Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- 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 Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-?
The CAS number of Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- is 5651-60-5.
What is the molecular formula of Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-?
The molecular formula of Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- is C12H18N6O3.
What is the molecular weight of Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-?
The molecular weight of Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- is 294.14 g/mol.
Where can I buy Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-?
You can request a quote for Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-allyl-8-(1-(2-hydroxyethyl)hydrazino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.