1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-
TL;DR: 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- (CAS 27042-75-7) is a chemical compound with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-, 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione, Isothiocyanic acid, (7-ethyl-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl ester, 7-Ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-1H-purine-2,6-dione, 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C11H13N5O2S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.079 |
| Heavy Atoms | 19 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 27042-75-7 |
|---|---|
| SMILES | CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN=C=S |
| InChIKey | OKQHPTHZOPWENY-UHFFFAOYSA-N |
Product Overview
1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- (CAS 27042-75-7), with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol. IUPAC: 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-
Property Insights of 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- has 0 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 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-?
The CAS number of 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- is 27042-75-7.
What is the molecular formula of 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-?
The molecular formula of 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- is C11H13N5O2S.
What is the molecular weight of 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-?
The molecular weight of 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- is 279.08 g/mol.
Where can I buy 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-?
You can request a quote for 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.