RefChem:1085145
TL;DR: RefChem:1085145 (CAS 15137-27-6) is a chemical compound with molecular formula C20H23NO5S2 and molecular weight 421.10178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yloxy)-N,N-dimethylethanamine
Also Known As: 4-(2-Dimethylaminoethoxy)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin hydrogen fumarate, Ethylamine, 2-((4,9-dihydrothieno(2,3-c)(2)benzothiepin-4-yl)oxy)-N,N-dimethyl-, fumarate (1:1), 2-((4,9-Dihydrothieno(2,3-c)(2)benzothiepin-4-yl)oxy)-N,N-dimethylethylamine fumarate, (E)-but-2-enedioic acid; 2-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yloxy)-N,N-dimethylethanamine
Technical Specifications
| Molecular Formula | C20H23NO5S2 |
| Molecular Weight | 421.10178 g/mol |
| XLogP | 3.7332 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.10178 Da |
| Heavy Atoms | 28 |
| Complexity | 432.0 |
| SMILES | CN(C)CCOC1C2=C(SCC3=CC=CC=C13)SC=C2.C(=C/C(=O)O)\C(=O)O |
| InChIKey | PRTZLNNPCOPLGB-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1085145
Property Insights of RefChem:1085145
The XLogP value of 3.7332 indicates that RefChem:1085145 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:1085145 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1085145 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 RefChem:1085145?
The CAS number of RefChem:1085145 is 15137-27-6.
What is the molecular formula of RefChem:1085145?
The molecular formula of RefChem:1085145 is C20H23NO5S2.
What is the molecular weight of RefChem:1085145?
The molecular weight of RefChem:1085145 is 421.10178 g/mol.
Where can I buy RefChem:1085145?
You can request a quote for RefChem:1085145 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1085145?
Yes, CoreyChem provides custom synthesis services for RefChem:1085145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.