![Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy- structure](/static/products/1141/114171-16-3.webp)
Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-
TL;DR: Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy- (CAS 114171-16-3) is a chemical compound with molecular formula C15H20N2O2S and molecular weight 292.12454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(azepane-1-carbothioyl)-4-methoxybenzamide
Also Known As: N-(azepane-1-carbothioyl)-4-methoxybenzamide, Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-, BIM-0025178.P001, 3,6,11,14-Tetraoxahexadeca-1,15-diene, N-(1-azepanylcarbothioyl)-4-methoxybenzamide
Technical Specifications
| Molecular Formula | C15H20N2O2S |
| Molecular Weight | 292.12454 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.12454 Da |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2 |
| InChIKey | BXJDOJCPEBMCNU-UHFFFAOYSA-N |
Chemical Property Profile of Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-
Property Insights of Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-. Following Lipinski's Rule of Five, Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy- 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 Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-?
The CAS number of Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy- is 114171-16-3.
What is the molecular formula of Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-?
The molecular formula of Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy- is C15H20N2O2S.
What is the molecular weight of Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-?
The molecular weight of Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy- is 292.12454 g/mol.
Where can I buy Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-?
You can request a quote for Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy-?
Yes, CoreyChem provides custom synthesis services for Benzamide, N-[(hexahydro-1H-azepin-1-yl)thioxomethyl]-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.