AB00684716-01
TL;DR: AB00684716-01 (CAS 851807-81-3) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]propan-1-one
Also Known As: AB00684716-01, F0630-1723, 2-phenoxy-1-(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)propan-1-one, 2-phenoxy-1-(2-{[(pyridin-3-yl)methyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)propan-1-one, 2-phenoxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]propan-1-one
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 2.9805 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 706.7185 |
Chemical Identifiers
| CAS Number | 851807-81-3 |
|---|---|
| SMILES | CC(C(=O)N1CCN=C1SCC2=CN=CC=C2)OC3=CC=CC=C3 |
Product Overview
AB00684716-01 (CAS 851807-81-3), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: 2-phenoxy-1-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]propan-1-one.
Chemical Property Profile of AB00684716-01
Property Insights of AB00684716-01
The XLogP value of 2.9805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684716-01. With a topological polar surface area (TPSA) of 54.79 Ų, AB00684716-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684716-01 has 0 hydrogen bond donor(s) and 5 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 AB00684716-01?
The CAS number of AB00684716-01 is 851807-81-3.
What is the molecular formula of AB00684716-01?
The molecular formula of AB00684716-01 is C18H19N3O2S.
What is the molecular weight of AB00684716-01?
The molecular weight of AB00684716-01 is 341.12 g/mol.
Where can I buy AB00684716-01?
You can request a quote for AB00684716-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684716-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684716-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.