(R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione
TL;DR: (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione (CAS 760173-05-5) is a chemical compound with molecular formula C14H15F2N3OS and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-aminoethyl)-3-(6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione
Also Known As: Etamicastat, BIA 5-453, (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione, 5-(2-aminoethyl)-1-(6,8-difluorochroman-3-yl)-3H-imidazole-2-thione, 4-(2-aminoethyl)-3-(6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione
| Molecular Formula | C14H15F2N3OS |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 2.50129 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0904 |
| Heavy Atoms | 21 |
| Complexity | 725.49457 |
Chemical Identifiers
| CAS Number | 760173-05-5 |
|---|---|
| SMILES | C1C(COC2=C1C=C(C=C2F)F)N3C(=CNC3=S)CCN |
Product Overview
(R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione (CAS 760173-05-5), with molecular formula C14H15F2N3OS and molecular weight 311.09 g/mol. IUPAC: 4-(2-aminoethyl)-3-(6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione.
Chemical Property Profile of (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione
Property Insights of (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione
The XLogP value of 2.50129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione. With a topological polar surface area (TPSA) of 55.97 Ų, (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione has 2 hydrogen bond donor(s) and 3 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 (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione?
The CAS number of (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione is 760173-05-5.
What is the molecular formula of (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione?
The molecular formula of (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione is C14H15F2N3OS.
What is the molecular weight of (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione?
The molecular weight of (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione is 311.09 g/mol.
Where can I buy (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione?
You can request a quote for (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for (R)-5-(2-Aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.