RefChem:203893
TL;DR: RefChem:203893 (CAS 105098-74-6) is a chemical compound with molecular formula C20H16BrNO4S and molecular weight 445.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-bromophenyl)-2-methyl-5,5-dioxo-1,4-dihydro-[1]benzothiolo[3,2-b]pyridine-3-carboxylate
Also Known As: 1-(4-Bromophenyl)-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-4-(4-bromophenyl)-2-methyl-, methyl ester, 5,5-dioxide, methyl 4-(4-bromophenyl)-2-methyl-5,5-dioxo-1,4-dihydro-[1]benzothiolo[3,2-b]pyridine-3-carboxylate, Methyl 4-(4-bromophenyl)-2-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothieno[3,2-b]pyridine-3-carboxylate, RefChem:203893
| Molecular Formula | C20H16BrNO4S |
|---|---|
| Molecular Weight | 445.00 g/mol |
| LogP | 3.739 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.99835 |
| Heavy Atoms | 27 |
| Complexity | 1130.8267 |
Chemical Identifiers
| CAS Number | 105098-74-6 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)C3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)Br)C(=O)OC |
Product Overview
RefChem:203893 (CAS 105098-74-6), with molecular formula C20H16BrNO4S and molecular weight 445.00 g/mol. IUPAC: methyl 4-(4-bromophenyl)-2-methyl-5,5-dioxo-1,4-dihydro-[1]benzothiolo[3,2-b]pyridine-3-carboxylate.
Chemical Property Profile of RefChem:203893
Property Insights of RefChem:203893
The XLogP value of 3.739 indicates that RefChem:203893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:203893. Following Lipinski's Rule of Five, RefChem:203893 has 1 hydrogen bond donor(s) and 5 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:203893?
The CAS number of RefChem:203893 is 105098-74-6.
What is the molecular formula of RefChem:203893?
The molecular formula of RefChem:203893 is C20H16BrNO4S.
What is the molecular weight of RefChem:203893?
The molecular weight of RefChem:203893 is 445.00 g/mol.
Where can I buy RefChem:203893?
You can request a quote for RefChem:203893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203893?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.