A3005/0126584
TL;DR: A3005/0126584 (CAS 682762-66-9) is a chemical compound with molecular formula C21H23ClF2N2O3S and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide
Also Known As: A3005/0126584, N-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-2,4,6-trimethylbenzenesulfonamide, N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide, N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-2,4,6-trimethylbenzene-1-sulfonamide
| Molecular Formula | C21H23ClF2N2O3S |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 5.09048 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.1086 |
| Heavy Atoms | 30 |
| Complexity | 1177.9124 |
Chemical Identifiers
| CAS Number | 682762-66-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC2=C(NC3=C2C=C(C=C3)OC(F)(F)Cl)C)C |
Product Overview
A3005/0126584 (CAS 682762-66-9), with molecular formula C21H23ClF2N2O3S and molecular weight 456.11 g/mol. IUPAC: N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide.
Chemical Property Profile of A3005/0126584
Property Insights of A3005/0126584
The XLogP value of 5.09048 indicates that A3005/0126584 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for A3005/0126584. Following Lipinski's Rule of Five, A3005/0126584 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3005/0126584?
The CAS number of A3005/0126584 is 682762-66-9.
What is the molecular formula of A3005/0126584?
The molecular formula of A3005/0126584 is C21H23ClF2N2O3S.
What is the molecular weight of A3005/0126584?
The molecular weight of A3005/0126584 is 456.11 g/mol.
Where can I buy A3005/0126584?
You can request a quote for A3005/0126584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3005/0126584?
Yes, KEHONG BIO provides custom synthesis services for A3005/0126584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.