AB01289468-01
TL;DR: AB01289468-01 (CAS 849916-85-4) is a chemical compound with molecular formula C22H22BrNO4S and molecular weight 475.05 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-dimethyl-1-benzofuran-2-carboxamide
Also Known As: AB01289468-01, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-benzofuran-2-carboxamide, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6-dimethylbenzofuran-2-carboxamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
| Molecular Formula | C22H22BrNO4S |
|---|---|
| Molecular Weight | 475.05 g/mol |
| LogP | 4.64164 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.0453 |
| Heavy Atoms | 29 |
| Complexity | 1198.7427 |
Chemical Identifiers
| CAS Number | 849916-85-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(O2)C(=O)N(CC3=CC(=CC=C3)Br)C4CCS(=O)(=O)C4)C |
Product Overview
AB01289468-01 (CAS 849916-85-4), with molecular formula C22H22BrNO4S and molecular weight 475.05 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB01289468-01
Property Insights of AB01289468-01
The XLogP value of 4.64164 indicates that AB01289468-01 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 AB01289468-01. Following Lipinski's Rule of Five, AB01289468-01 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 AB01289468-01?
The CAS number of AB01289468-01 is 849916-85-4.
What is the molecular formula of AB01289468-01?
The molecular formula of AB01289468-01 is C22H22BrNO4S.
What is the molecular weight of AB01289468-01?
The molecular weight of AB01289468-01 is 475.05 g/mol.
Where can I buy AB01289468-01?
You can request a quote for AB01289468-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01289468-01?
Yes, KEHONG BIO provides custom synthesis services for AB01289468-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.