1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride
TL;DR: 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride (CAS 130366-25-5) is a chemical compound with molecular formula C9H13ClN6O3S and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetohydrazide;hydrochloride
Also Known As: 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride, Acetic acid, ((2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio)-, hydrazide, monohydrochloride, 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetohydrazide hydrochloride, 2-[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetohydrazide--hydrogen chloride (1/1), RefChem:315880
| Molecular Formula | C9H13ClN6O3S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | -1.5359 |
| Topological Polar Surface Area | 127.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.04584 |
| Heavy Atoms | 20 |
| Complexity | 763.35425 |
Chemical Identifiers
| CAS Number | 130366-25-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NN.Cl |
Product Overview
1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride (CAS 130366-25-5), with molecular formula C9H13ClN6O3S and molecular weight 320.05 g/mol. IUPAC: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetohydrazide;hydrochloride.
Chemical Property Profile of 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride
Property Insights of 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride
The XLogP value of -1.5359 indicates that 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride. Following Lipinski's Rule of Five, 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride has 3 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 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride?
The CAS number of 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride is 130366-25-5.
What is the molecular formula of 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride?
The molecular formula of 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride is C9H13ClN6O3S.
What is the molecular weight of 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride?
The molecular weight of 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride is 320.05 g/mol.
Where can I buy 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride?
You can request a quote for 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylxanthinyl-8-thioacetohydrazide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.