7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
TL;DR: 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 353761-63-4) is a chemical compound with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Also Known As: ChemDiv1_008705, BAS 03073188, AN-465/14962045, 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione, A2603/0110607
| Molecular Formula | C11H14N4O2S |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.08374 |
| Heavy Atoms | 18 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 353761-63-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=S)N2)CC3CC3 |
| InChIKey | HFVIHTQZNWZYQZ-UHFFFAOYSA-N |
Product Overview
7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione (CAS 353761-63-4), with molecular formula C11H14N4O2S and molecular weight 266.08 g/mol. IUPAC: 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Property Insights of 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
The CAS number of 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione is 353761-63-4.
What is the molecular formula of 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular formula of 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione is C11H14N4O2S.
What is the molecular weight of 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
The molecular weight of 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione is 266.08 g/mol.
Where can I buy 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
You can request a quote for 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(cyclopropylmethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.