AB01276124-01
TL;DR: AB01276124-01 (CAS 714261-97-9) is a chemical compound with molecular formula C21H19BrClNO4S and molecular weight 494.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
Also Known As: AB01276124-01, 5-bromo-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide, 5-bromo-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide, 5-bromo-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-benzofuran-2-carboxamide
| Molecular Formula | C21H19BrClNO4S |
|---|---|
| Molecular Weight | 494.99 g/mol |
| LogP | 4.98662 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.99066 |
| Heavy Atoms | 29 |
| Complexity | 1187.3616 |
Chemical Identifiers
| CAS Number | 714261-97-9 |
|---|---|
| SMILES | CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N(CC3=CC=C(C=C3)Cl)C4CCS(=O)(=O)C4 |
Product Overview
AB01276124-01 (CAS 714261-97-9), with molecular formula C21H19BrClNO4S and molecular weight 494.99 g/mol. IUPAC: 5-bromo-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB01276124-01
Property Insights of AB01276124-01
The XLogP value of 4.98662 indicates that AB01276124-01 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 AB01276124-01. Following Lipinski's Rule of Five, AB01276124-01 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 AB01276124-01?
The CAS number of AB01276124-01 is 714261-97-9.
What is the molecular formula of AB01276124-01?
The molecular formula of AB01276124-01 is C21H19BrClNO4S.
What is the molecular weight of AB01276124-01?
The molecular weight of AB01276124-01 is 494.99 g/mol.
Where can I buy AB01276124-01?
You can request a quote for AB01276124-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01276124-01?
Yes, KEHONG BIO provides custom synthesis services for AB01276124-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.