替喹胺
TL;DR: 替喹胺 (CAS 53400-68-3) is a chemical compound with molecular formula C11H14N2S and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替喹胺
3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide
Also Known As: Tiquinamide, Tiquinamida, Tiquinamidum, Tiquinamide [INN:BAN], Tiquinamidum [INN-Latin]
| Molecular Formula | C11H14N2S |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.09602 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.08777 |
| Heavy Atoms | 14 |
| Complexity | 373.55032 |
Chemical Identifiers
| CAS Number | 53400-68-3 |
|---|---|
| SMILES | CC1=CC2=C(C(CCC2)C(=S)N)N=C1 |
Product Overview
替喹胺 (CAS 53400-68-3), with molecular formula C11H14N2S and molecular weight 206.09 g/mol. IUPAC: 3-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide.
Chemical Property Profile of 替喹胺
Property Insights of 替喹胺
The XLogP value of 2.09602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 替喹胺. With a topological polar surface area (TPSA) of 38.91 Ų, 替喹胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 替喹胺 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
Frequently Asked Questions
What is the CAS number of 替喹胺?
The CAS number of 替喹胺 is 53400-68-3.
What is the molecular formula of 替喹胺?
The molecular formula of 替喹胺 is C11H14N2S.
What is the molecular weight of 替喹胺?
The molecular weight of 替喹胺 is 206.09 g/mol.
Where can I buy 替喹胺?
You can request a quote for 替喹胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替喹胺?
Yes, KEHONG BIO provides custom synthesis services for 替喹胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.