N-Desmethyl Tamoxifen Methanethiosulfonate
TL;DR: N-Desmethyl Tamoxifen Methanethiosulfonate (CAS 1025678-19-6) is a chemical compound with molecular formula C28H33NO3S2 and molecular weight 495.1902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N-methyl-N-(2-methylsulfonylsulfanylethyl)ethanamine
Also Known As: N-Desmethyl Tamoxifen Methanethiosulfonate, 2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N-methyl-N-(2-methylsulfonylsulfanylethyl)ethanamine
Technical Specifications
| Molecular Formula | C28H33NO3S2 |
| Molecular Weight | 495.1902 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 495.1902 Da |
| Heavy Atoms | 34 |
| Complexity | 710.0 |
| SMILES | CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)CCSS(=O)(=O)C)C3=CC=CC=C3 |
| InChIKey | ZYKOLRQKLGUPAC-UHFFFAOYSA-N |
Chemical Property Profile of N-Desmethyl Tamoxifen Methanethiosulfonate
Property Insights of N-Desmethyl Tamoxifen Methanethiosulfonate
The XLogP value of 7.0 indicates that N-Desmethyl Tamoxifen Methanethiosulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethyl Tamoxifen Methanethiosulfonate. Following Lipinski's Rule of Five, N-Desmethyl Tamoxifen Methanethiosulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Desmethyl Tamoxifen Methanethiosulfonate?
The CAS number of N-Desmethyl Tamoxifen Methanethiosulfonate is 1025678-19-6.
What is the molecular formula of N-Desmethyl Tamoxifen Methanethiosulfonate?
The molecular formula of N-Desmethyl Tamoxifen Methanethiosulfonate is C28H33NO3S2.
What is the molecular weight of N-Desmethyl Tamoxifen Methanethiosulfonate?
The molecular weight of N-Desmethyl Tamoxifen Methanethiosulfonate is 495.1902 g/mol.
Where can I buy N-Desmethyl Tamoxifen Methanethiosulfonate?
You can request a quote for N-Desmethyl Tamoxifen Methanethiosulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Desmethyl Tamoxifen Methanethiosulfonate?
Yes, CoreyChem provides custom synthesis services for N-Desmethyl Tamoxifen Methanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.