AB00684719-01
TL;DR: AB00684719-01 (CAS 851808-63-4) is a chemical compound with molecular formula C18H15N3O5S and molecular weight 385.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: AB00684719-01, F0630-1867, 1-(2H-1,3-benzodioxole-5-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole, 1,3-benzodioxol-5-yl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone, benzo[d][1,3]dioxol-5-yl(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
| Molecular Formula | C18H15N3O5S |
|---|---|
| Molecular Weight | 385.07 g/mol |
| LogP | 3.0687 |
| Topological Polar Surface Area | 94.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.07324 |
| Heavy Atoms | 27 |
| Complexity | 946.34436 |
Chemical Identifiers
| CAS Number | 851808-63-4 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
AB00684719-01 (CAS 851808-63-4), with molecular formula C18H15N3O5S and molecular weight 385.07 g/mol. IUPAC: 1,3-benzodioxol-5-yl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of AB00684719-01
Property Insights of AB00684719-01
The XLogP value of 3.0687 indicates that AB00684719-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684719-01. Following Lipinski's Rule of Five, AB00684719-01 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 AB00684719-01?
The CAS number of AB00684719-01 is 851808-63-4.
What is the molecular formula of AB00684719-01?
The molecular formula of AB00684719-01 is C18H15N3O5S.
What is the molecular weight of AB00684719-01?
The molecular weight of AB00684719-01 is 385.07 g/mol.
Where can I buy AB00684719-01?
You can request a quote for AB00684719-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684719-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684719-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.