![(4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide structure](/static/products/121/1212492-96-0.webp)
(4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide
TL;DR: (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide (CAS 1212492-96-0) is a chemical compound with molecular formula C20H22FN3S and molecular weight 355.15186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbothioamide
Also Known As: (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide, (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole-5(9bH)-carbothioamide, (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbothioamide
Technical Specifications
| Molecular Formula | C20H22FN3S |
| Molecular Weight | 355.15186 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.15186 Da |
| Heavy Atoms | 25 |
| Complexity | 501.0 |
| SMILES | CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=S)NC4=CC(=CC=C4)F |
| InChIKey | BKNGBUQFFHWDRU-HKUYNNGSSA-N |
Chemical Property Profile of (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide
Property Insights of (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide
The XLogP value of 3.8 indicates that (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide 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 (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide?
The CAS number of (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide is 1212492-96-0.
What is the molecular formula of (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide?
The molecular formula of (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide is C20H22FN3S.
What is the molecular weight of (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide?
The molecular weight of (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide is 355.15186 g/mol.
Where can I buy (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide?
You can request a quote for (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide?
Yes, CoreyChem provides custom synthesis services for (4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.