N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide
TL;DR: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide (CAS 850902-89-5) is a chemical compound with molecular formula C23H24BrNO4S and molecular weight 489.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide
Also Known As: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide, AO-022/43360098, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethylbenzofuran-2-carboxamide
| Molecular Formula | C23H24BrNO4S |
|---|---|
| Molecular Weight | 489.06 g/mol |
| LogP | 4.95006 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.06094 |
| Heavy Atoms | 30 |
| Complexity | 1245.5668 |
Chemical Identifiers
| CAS Number | 850902-89-5 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC(=CC=C3)Br)C4CCS(=O)(=O)C4)C)C |
Product Overview
N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide (CAS 850902-89-5), with molecular formula C23H24BrNO4S and molecular weight 489.06 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide
Property Insights of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide
The XLogP value of 4.95006 indicates that N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide has 0 hydrogen bond donor(s) and 4 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 N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The CAS number of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide is 850902-89-5.
What is the molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide is C23H24BrNO4S.
What is the molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
The molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide is 489.06 g/mol.
Where can I buy N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
You can request a quote for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.