RefChem:203891
TL;DR: RefChem:203891 (CAS 105098-73-5) is a chemical compound with molecular formula C20H16N2O6S and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-4-(2-nitrophenyl)-5,5-dioxo-1,4-dihydro-[1]benzothiolo[3,2-b]pyridine-3-carboxylate
Also Known As: 1-(2-Nitrophenyl)-2-methoxycarbonyl-3-methyl-1,4-dihydrobenzothieno(3,2-b)pyridine-9,9-dioxide, (1)Benzothieno(3,2-b)pyridine-3-carboxylic acid, 1,4-dihydro-2-methyl-4-(2-nitrophenyl)-, methyl ester, 5,5-dioxide, methyl 2-methyl-4-(2-nitrophenyl)-5,5-dioxo-1,4-dihydro-[1]benzothiolo[3,2-b]pyridine-3-carboxylate, Methyl 2-methyl-4-(2-nitrophenyl)-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothieno[3,2-b]pyridine-3-carboxylate, RefChem:203891
| Molecular Formula | C20H16N2O6S |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 2.8847 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.0729 |
| Heavy Atoms | 29 |
| Complexity | 1243.1227 |
Chemical Identifiers
| CAS Number | 105098-73-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC |
Product Overview
RefChem:203891 (CAS 105098-73-5), with molecular formula C20H16N2O6S and molecular weight 412.07 g/mol. IUPAC: methyl 2-methyl-4-(2-nitrophenyl)-5,5-dioxo-1,4-dihydro-[1]benzothiolo[3,2-b]pyridine-3-carboxylate.
Chemical Property Profile of RefChem:203891
Property Insights of RefChem:203891
The XLogP value of 2.8847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:203891. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:203891. Following Lipinski's Rule of Five, RefChem:203891 has 1 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 RefChem:203891?
The CAS number of RefChem:203891 is 105098-73-5.
What is the molecular formula of RefChem:203891?
The molecular formula of RefChem:203891 is C20H16N2O6S.
What is the molecular weight of RefChem:203891?
The molecular weight of RefChem:203891 is 412.07 g/mol.
Where can I buy RefChem:203891?
You can request a quote for RefChem:203891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.