RefChem:1058245
TL;DR: RefChem:1058245 (CAS 155814-29-2) is a chemical compound with molecular formula C21H26N4O3S and molecular weight 414.17258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-2-sulfanylidene-7H-purin-6-one
Also Known As: (E)-8-(3,4-Dimethoxystyryl)-1,3-dipropyl-2-thioxanthine, 1H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-2-thioxo-,(E)-, 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-2-sulfanylidene-7H-purin-6-one, 1H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)- 1,3-dipropyl-2-thioxo-,(E)-, 1H-Purin-6-one,1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-2-thioxo-,(E)
Technical Specifications
| Molecular Formula | C21H26N4O3S |
| Molecular Weight | 414.17258 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.17258 Da |
| Heavy Atoms | 29 |
| Complexity | 617.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)/C=C/C3=CC(=C(C=C3)OC)OC |
| InChIKey | UBTCNLGIOUVSQV-CSKARUKUSA-N |
Chemical Property Profile of RefChem:1058245
Property Insights of RefChem:1058245
The XLogP value of 4.3 indicates that RefChem:1058245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058245. Following Lipinski's Rule of Five, RefChem:1058245 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
What is the CAS number of RefChem:1058245?
The CAS number of RefChem:1058245 is 155814-29-2.
What is the molecular formula of RefChem:1058245?
The molecular formula of RefChem:1058245 is C21H26N4O3S.
What is the molecular weight of RefChem:1058245?
The molecular weight of RefChem:1058245 is 414.17258 g/mol.
Where can I buy RefChem:1058245?
You can request a quote for RefChem:1058245 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058245?
Yes, CoreyChem provides custom synthesis services for RefChem:1058245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.