AB00684690-01
TL;DR: AB00684690-01 (CAS 851802-29-4) is a chemical compound with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Also Known As: AB00684690-01, F0630-0765, (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methanone, [2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone, 2-{[(4-nitrophenyl)methyl]sulfanyl}-1-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1H-imidazole
| Molecular Formula | C20H21N3O6S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 3.3658 |
| Topological Polar Surface Area | 103.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.1151 |
| Heavy Atoms | 30 |
| Complexity | 952.00226 |
Chemical Identifiers
| CAS Number | 851802-29-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AB00684690-01 (CAS 851802-29-4), with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol. IUPAC: [2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of AB00684690-01
Property Insights of AB00684690-01
The XLogP value of 3.3658 indicates that AB00684690-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684690-01. Following Lipinski's Rule of Five, AB00684690-01 has 0 hydrogen bond donor(s) and 8 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 AB00684690-01?
The CAS number of AB00684690-01 is 851802-29-4.
What is the molecular formula of AB00684690-01?
The molecular formula of AB00684690-01 is C20H21N3O6S.
What is the molecular weight of AB00684690-01?
The molecular weight of AB00684690-01 is 431.12 g/mol.
Where can I buy AB00684690-01?
You can request a quote for AB00684690-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684690-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684690-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.