Theophylline, 7-allyl-8-(1-methylhydrazino)-
TL;DR: Theophylline, 7-allyl-8-(1-methylhydrazino)- (CAS 5651-35-4) is a chemical compound with molecular formula C11H16N6O2 and molecular weight 264.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[amino(methyl)amino]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Also Known As: Theophylline, 7-allyl-8-(1-methylhydrazino)-, 7-Allyl-8-(1-methylhydrazino)theophylline, N-Methyl-N-(7-allyltheophyllinyl-8)-hydrazine, 5-26-18-00549 (Beilstein Handbook Reference), 7-ALLYL-8-(1-METHYLHYDRAZINYL)THEOPHYLLINE
| Molecular Formula | C11H16N6O2 |
|---|---|
| Molecular Weight | 264.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.13348 |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 5651-35-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)N)CC=C |
| InChIKey | YSHGGEWDDCWGKN-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-allyl-8-(1-methylhydrazino)- (CAS 5651-35-4), with molecular formula C11H16N6O2 and molecular weight 264.13 g/mol. IUPAC: 8-[amino(methyl)amino]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-allyl-8-(1-methylhydrazino)-
Property Insights of Theophylline, 7-allyl-8-(1-methylhydrazino)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-allyl-8-(1-methylhydrazino)-. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-allyl-8-(1-methylhydrazino)-. Following Lipinski's Rule of Five, Theophylline, 7-allyl-8-(1-methylhydrazino)- has 1 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-(1-methylhydrazino)-?
The CAS number of Theophylline, 7-allyl-8-(1-methylhydrazino)- is 5651-35-4.
What is the molecular formula of Theophylline, 7-allyl-8-(1-methylhydrazino)-?
The molecular formula of Theophylline, 7-allyl-8-(1-methylhydrazino)- is C11H16N6O2.
What is the molecular weight of Theophylline, 7-allyl-8-(1-methylhydrazino)-?
The molecular weight of Theophylline, 7-allyl-8-(1-methylhydrazino)- is 264.13 g/mol.
Where can I buy Theophylline, 7-allyl-8-(1-methylhydrazino)-?
You can request a quote for Theophylline, 7-allyl-8-(1-methylhydrazino)- 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-methylhydrazino)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-allyl-8-(1-methylhydrazino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.