AB00684713-01
TL;DR: AB00684713-01 (CAS 851807-66-4) is a chemical compound with molecular formula C16H13F2N3OS and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-difluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
Also Known As: AB00684713-01, F0630-1698, (3,4-difluorophenyl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, (3,4-difluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone, 3-({[1-(3,4-difluorobenzoyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}methyl)pyridine
| Molecular Formula | C16H13F2N3OS |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 3.105 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.07474 |
| Heavy Atoms | 23 |
| Complexity | 752.2455 |
Chemical Identifiers
| CAS Number | 851807-66-4 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CN=CC=C2)C(=O)C3=CC(=C(C=C3)F)F |
Product Overview
AB00684713-01 (CAS 851807-66-4), with molecular formula C16H13F2N3OS and molecular weight 333.07 g/mol. IUPAC: (3,4-difluorophenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of AB00684713-01
Property Insights of AB00684713-01
The XLogP value of 3.105 indicates that AB00684713-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, AB00684713-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684713-01 has 0 hydrogen bond donor(s) and 4 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 AB00684713-01?
The CAS number of AB00684713-01 is 851807-66-4.
What is the molecular formula of AB00684713-01?
The molecular formula of AB00684713-01 is C16H13F2N3OS.
What is the molecular weight of AB00684713-01?
The molecular weight of AB00684713-01 is 333.07 g/mol.
Where can I buy AB00684713-01?
You can request a quote for AB00684713-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684713-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684713-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.