Theophylline, 7-allyl-8-hydrazino-
TL;DR: Theophylline, 7-allyl-8-hydrazino- (CAS 56517-01-2) is a chemical compound with molecular formula C10H14N6O2 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydrazinyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: 7-Allyl-8-hydrazinotheophylline, Theophylline, 7-allyl-8-hydrazino-, BAS 02080956, 7-ALLYL-8-HYDRAZINYLTHEOPHYLLINE, 5-26-18-00548 (Beilstein Handbook Reference)
| Molecular Formula | C10H14N6O2 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11783 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 56517-01-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN)CC=C |
| InChIKey | OATDFXSNOPGDBZ-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-allyl-8-hydrazino- (CAS 56517-01-2), with molecular formula C10H14N6O2 and molecular weight 250.12 g/mol. IUPAC: 8-hydrazinyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-allyl-8-hydrazino-
Property Insights of Theophylline, 7-allyl-8-hydrazino-
The XLogP value of -0.1 indicates that Theophylline, 7-allyl-8-hydrazino- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-allyl-8-hydrazino-. Following Lipinski's Rule of Five, Theophylline, 7-allyl-8-hydrazino- 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 Theophylline, 7-allyl-8-hydrazino-?
The CAS number of Theophylline, 7-allyl-8-hydrazino- is 56517-01-2.
What is the molecular formula of Theophylline, 7-allyl-8-hydrazino-?
The molecular formula of Theophylline, 7-allyl-8-hydrazino- is C10H14N6O2.
What is the molecular weight of Theophylline, 7-allyl-8-hydrazino-?
The molecular weight of Theophylline, 7-allyl-8-hydrazino- is 250.12 g/mol.
Where can I buy Theophylline, 7-allyl-8-hydrazino-?
You can request a quote for Theophylline, 7-allyl-8-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-hydrazino-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-allyl-8-hydrazino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.