A3005/0126587
TL;DR: A3005/0126587 (CAS 682762-69-2) is a chemical compound with molecular formula C20H21ClF2N2O4S and molecular weight 458.09 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]-4-ethoxybenzenesulfonamide
Also Known As: A3005/0126587, N-(2-{5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl}ethyl)-4-ethoxybenzenesulfonamide, N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-4-ethoxybenzenesulfonamide, N-{2-[5-(chlorodifluoromethoxy)-2-methyl-1H-indol-3-yl]ethyl}-4-ethoxybenzene-1-sulfonamide
| Molecular Formula | C20H21ClF2N2O4S |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 4.56392 |
| Topological Polar Surface Area | 80.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.08786 |
| Heavy Atoms | 30 |
| Complexity | 1126.1543 |
Chemical Identifiers
| CAS Number | 682762-69-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NC3=C2C=C(C=C3)OC(F)(F)Cl)C |
Product Overview
A3005/0126587 (CAS 682762-69-2), with molecular formula C20H21ClF2N2O4S and molecular weight 458.09 g/mol. IUPAC: N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-4-ethoxybenzenesulfonamide.
Chemical Property Profile of A3005/0126587
Property Insights of A3005/0126587
The XLogP value of 4.56392 indicates that A3005/0126587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.42 Ų falls within the moderate polarity range, balancing permeability and solubility for A3005/0126587. Following Lipinski's Rule of Five, A3005/0126587 has 2 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 A3005/0126587?
The CAS number of A3005/0126587 is 682762-69-2.
What is the molecular formula of A3005/0126587?
The molecular formula of A3005/0126587 is C20H21ClF2N2O4S.
What is the molecular weight of A3005/0126587?
The molecular weight of A3005/0126587 is 458.09 g/mol.
Where can I buy A3005/0126587?
You can request a quote for A3005/0126587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3005/0126587?
Yes, KEHONG BIO provides custom synthesis services for A3005/0126587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.