AB00684720-01
TL;DR: AB00684720-01 (CAS 851808-85-0) is a chemical compound with molecular formula C19H20N4O5S2 and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]benzenesulfonamide
Also Known As: AB00684720-01, F0630-1921, N,N-dimethyl-4-(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazole-1-carbonyl)benzenesulfonamide, N,N-dimethyl-4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole-1-carbonyl)benzene-1-sulfonamide, N,N-dimethyl-4-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]benzenesulfonamide
| Molecular Formula | C19H20N4O5S2 |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 2.5903 |
| Topological Polar Surface Area | 113.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.08752 |
| Heavy Atoms | 30 |
| Complexity | 1098.1627 |
Chemical Identifiers
| CAS Number | 851808-85-0 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
AB00684720-01 (CAS 851808-85-0), with molecular formula C19H20N4O5S2 and molecular weight 448.09 g/mol. IUPAC: N,N-dimethyl-4-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]benzenesulfonamide.
Chemical Property Profile of AB00684720-01
Property Insights of AB00684720-01
The XLogP value of 2.5903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684720-01. The TPSA of 113.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684720-01. Following Lipinski's Rule of Five, AB00684720-01 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 AB00684720-01?
The CAS number of AB00684720-01 is 851808-85-0.
What is the molecular formula of AB00684720-01?
The molecular formula of AB00684720-01 is C19H20N4O5S2.
What is the molecular weight of AB00684720-01?
The molecular weight of AB00684720-01 is 448.09 g/mol.
Where can I buy AB00684720-01?
You can request a quote for AB00684720-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684720-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684720-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.