CAS 127905-79-7 - C21H25NO6S
TL;DR: CAS 127905-79-7 - C21H25NO6S (CAS 127905-79-7) is a chemical compound with molecular formula C21H25NO6S and molecular weight 419.14026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;1-[2-(2,5-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
Also Known As: 2-((2,5-Dimethoxyphenyl)thio)-N,N-dimethylbenzenemethanamine (Z)-2-butenedioate (1:1)
Technical Specifications
| Molecular Formula | C21H25NO6S |
| Molecular Weight | 419.14026 g/mol |
| XLogP | 3.6284 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.14026 Da |
| Heavy Atoms | 29 |
| Complexity | 419.0 |
| SMILES | CN(C)CC1=CC=CC=C1SC2=C(C=CC(=C2)OC)OC.C(=CC(=O)O)C(=O)O |
| InChIKey | PBERZIJIQRQPPX-UHFFFAOYSA-N |
Chemical Property Profile of CAS 127905-79-7 - C21H25NO6S
Property Insights of CAS 127905-79-7 - C21H25NO6S
The XLogP value of 3.6284 indicates that CAS 127905-79-7 - C21H25NO6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 127905-79-7 - C21H25NO6S. Following Lipinski's Rule of Five, CAS 127905-79-7 - C21H25NO6S has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CAS 127905-79-7 - C21H25NO6S?
The CAS number of CAS 127905-79-7 - C21H25NO6S is 127905-79-7.
What is the molecular formula of CAS 127905-79-7 - C21H25NO6S?
The molecular formula of CAS 127905-79-7 - C21H25NO6S is C21H25NO6S.
What is the molecular weight of CAS 127905-79-7 - C21H25NO6S?
The molecular weight of CAS 127905-79-7 - C21H25NO6S is 419.14026 g/mol.
Where can I buy CAS 127905-79-7 - C21H25NO6S?
You can request a quote for CAS 127905-79-7 - C21H25NO6S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CAS 127905-79-7 - C21H25NO6S?
Yes, CoreyChem provides custom synthesis services for CAS 127905-79-7 - C21H25NO6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.