AB00684709-01
TL;DR: AB00684709-01 (CAS 851807-55-1) is a chemical compound with molecular formula C22H27N3O4S and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-triethoxyphenyl)methanone
Also Known As: AB00684709-01, F0630-1686, (2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(3,4,5-triethoxyphenyl)methanone, [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-triethoxyphenyl)methanone, 3-({[1-(3,4,5-triethoxybenzoyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}methyl)pyridine
| Molecular Formula | C22H27N3O4S |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 4.0229 |
| Topological Polar Surface Area | 73.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.17224 |
| Heavy Atoms | 30 |
| Complexity | 862.2014 |
Chemical Identifiers
| CAS Number | 851807-55-1 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN=C2SCC3=CN=CC=C3 |
Product Overview
AB00684709-01 (CAS 851807-55-1), with molecular formula C22H27N3O4S and molecular weight 429.17 g/mol. IUPAC: [2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(3,4,5-triethoxyphenyl)methanone.
Chemical Property Profile of AB00684709-01
Property Insights of AB00684709-01
The XLogP value of 4.0229 indicates that AB00684709-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684709-01. Following Lipinski's Rule of Five, AB00684709-01 has 0 hydrogen bond donor(s) and 7 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 AB00684709-01?
The CAS number of AB00684709-01 is 851807-55-1.
What is the molecular formula of AB00684709-01?
The molecular formula of AB00684709-01 is C22H27N3O4S.
What is the molecular weight of AB00684709-01?
The molecular weight of AB00684709-01 is 429.17 g/mol.
Where can I buy AB00684709-01?
You can request a quote for AB00684709-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684709-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684709-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.