RefChem:1071898
TL;DR: RefChem:1071898 (CAS 100447-50-5) is a chemical compound with molecular formula C17H20N2S and molecular weight 284.1347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-N-methyl-3-(5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
Also Known As: 4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-2-methyl-4-(3-(methylamino)propylidene)-, 9,10-Dihydro-2-methyl-4-(3-(methylamino)propylidene)-4H-benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-Dihydro-2-methyl-4-[3-(methylamino)propylidene]-4H-benzo[5,6]cyclohepta[1,2-d]thiazole, methyl(3-{5-methyl-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene}propyl)amine, BRN 0919757
Technical Specifications
| Molecular Formula | C17H20N2S |
| Molecular Weight | 284.1347 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.1347 Da |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
| SMILES | CC1=NC\2=C(S1)CCC3=CC=CC=C3/C2=C\CCNC |
| InChIKey | ACADDVKGQNBRTF-OVCLIPMQSA-N |
Chemical Property Profile of RefChem:1071898
Property Insights of RefChem:1071898
The XLogP value of 3.4 indicates that RefChem:1071898 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.2 Ų, RefChem:1071898 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1071898 has 1 hydrogen bond donor(s) and 3 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:1071898?
The CAS number of RefChem:1071898 is 100447-50-5.
What is the molecular formula of RefChem:1071898?
The molecular formula of RefChem:1071898 is C17H20N2S.
What is the molecular weight of RefChem:1071898?
The molecular weight of RefChem:1071898 is 284.1347 g/mol.
Where can I buy RefChem:1071898?
You can request a quote for RefChem:1071898 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1071898?
Yes, CoreyChem provides custom synthesis services for RefChem:1071898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.