AT-057/41752804
TL;DR: AT-057/41752804 (CAS 609784-68-1) is a chemical compound with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminoacetamide
Also Known As: AT-057/41752804, (E)-2-(4-chloro-2-methylphenoxy)-N'-(5-methoxy-2-oxo-1-propylindolin-3-ylidene)acetohydrazide, F1577-0091, 2-(4-chloro-2-methylphenoxy)-N'-[(3E)-5-methoxy-2-oxo-1-propyl-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide, 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminoacetamide
| Molecular Formula | C21H22ClN3O4 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 5.41662 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.12988 |
| Heavy Atoms | 29 |
| Complexity | 1075.4637 |
Chemical Identifiers
| CAS Number | 609784-68-1 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C=C2)OC)C(=C1O)N=NC(=O)COC3=C(C=C(C=C3)Cl)C |
Product Overview
AT-057/41752804 (CAS 609784-68-1), with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminoacetamide.
Chemical Property Profile of AT-057/41752804
Property Insights of AT-057/41752804
The XLogP value of 5.41662 indicates that AT-057/41752804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/41752804. Following Lipinski's Rule of Five, AT-057/41752804 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AT-057/41752804?
The CAS number of AT-057/41752804 is 609784-68-1.
What is the molecular formula of AT-057/41752804?
The molecular formula of AT-057/41752804 is C21H22ClN3O4.
What is the molecular weight of AT-057/41752804?
The molecular weight of AT-057/41752804 is 415.13 g/mol.
Where can I buy AT-057/41752804?
You can request a quote for AT-057/41752804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/41752804?
Yes, KEHONG BIO provides custom synthesis services for AT-057/41752804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.