C19H21N3OS
TL;DR: C19H21N3OS (CAS 1212241-57-0) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,9S)-N-benzyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioamide
Also Known As: BAS 13121747, (1R,5R)-N-benzyl-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carbothioamide
Technical Specifications
| Molecular Formula | C19H21N3OS |
| Molecular Weight | 339.14053 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14053 Da |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
| SMILES | C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=S)NCC4=CC=CC=C4 |
| InChIKey | DDJSRCGMAWOKIV-CVEARBPZSA-N |
Chemical Property Profile of C19H21N3OS
Property Insights of C19H21N3OS
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H21N3OS. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H21N3OS. Following Lipinski's Rule of Five, C19H21N3OS has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C19H21N3OS?
The CAS number of C19H21N3OS is 1212241-57-0.
What is the molecular formula of C19H21N3OS?
The molecular formula of C19H21N3OS is C19H21N3OS.
What is the molecular weight of C19H21N3OS?
The molecular weight of C19H21N3OS is 339.14053 g/mol.
Where can I buy C19H21N3OS?
You can request a quote for C19H21N3OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C19H21N3OS?
Yes, CoreyChem provides custom synthesis services for C19H21N3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.