Desmethyl-TMSX
TL;DR: Desmethyl-TMSX (CAS 147700-34-3) is a chemical compound with molecular formula C18H20N4O5 and molecular weight 372.14337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Also Known As: Desmethyl-TMSX, (E)-8-(3,4,5-Trimethoxystyryl)theophylline hemihydrate, C18H20N4O5.1/2H2O, C18-H20-N4-O5.1/2H2-O, 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C18H20N4O5 |
| Molecular Weight | 372.14337 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.14337 Da |
| Heavy Atoms | 27 |
| Complexity | 586.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | BPIQNFNKBYWCNB-VOTSOKGWSA-N |
Chemical Property Profile of Desmethyl-TMSX
Property Insights of Desmethyl-TMSX
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethyl-TMSX. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmethyl-TMSX. Following Lipinski's Rule of Five, Desmethyl-TMSX has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Desmethyl-TMSX?
The CAS number of Desmethyl-TMSX is 147700-34-3.
What is the molecular formula of Desmethyl-TMSX?
The molecular formula of Desmethyl-TMSX is C18H20N4O5.
What is the molecular weight of Desmethyl-TMSX?
The molecular weight of Desmethyl-TMSX is 372.14337 g/mol.
Where can I buy Desmethyl-TMSX?
You can request a quote for Desmethyl-TMSX directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Desmethyl-TMSX?
Yes, CoreyChem provides custom synthesis services for Desmethyl-TMSX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.