RefChem:1100081
TL;DR: RefChem:1100081 (CAS 15931-04-1) is a chemical compound with molecular formula C27H33NO4S and molecular weight 467.21304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;(3Z)-N,N-dimethyl-3-(2-pentylthioxanthen-9-ylidene)propan-1-amine
Also Known As: cis-2-n-Amyl-9-(3-dimethylaminopropylidene)thioxanthene fumarate hydrate, Thioxanthene-delta(sup 9,gamma)-propylamine, N,N-dimethyl-2-pentyl-, fumarate, hydrate, (Z)-, (Z)-N,N-Dimethyl-2-pentylthioxanthene-delta(sup 9,gamma)-propylamine fumarate hydrate, (E)-but-2-enedioic acid; (3Z)-N,N-dimethyl-3-(2-pentylthioxanthen-9-ylidene)propan-1-amine, Thioxanthene-delta(sup 9,gamma)-propylamine, N,N-dimethyl-2-pentyl-, fumarate, hydrate, (E)-
Technical Specifications
| Molecular Formula | C27H33NO4S |
| Molecular Weight | 467.21304 g/mol |
| XLogP | 5.9791 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.21304 Da |
| Heavy Atoms | 33 |
| Complexity | 549.0 |
| SMILES | CCCCCC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C/CCN(C)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | IZCHZOYOPNLIKW-WVUNURDKSA-N |
Chemical Property Profile of RefChem:1100081
Property Insights of RefChem:1100081
The XLogP value of 5.9791 indicates that RefChem:1100081 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:1100081. Following Lipinski's Rule of Five, RefChem:1100081 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1100081?
The CAS number of RefChem:1100081 is 15931-04-1.
What is the molecular formula of RefChem:1100081?
The molecular formula of RefChem:1100081 is C27H33NO4S.
What is the molecular weight of RefChem:1100081?
The molecular weight of RefChem:1100081 is 467.21304 g/mol.
Where can I buy RefChem:1100081?
You can request a quote for RefChem:1100081 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1100081?
Yes, CoreyChem provides custom synthesis services for RefChem:1100081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.