AT-057/43467983
TL;DR: AT-057/43467983 (CAS 429622-47-9) is a chemical compound with molecular formula C21H27N3O6 and molecular weight 417.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
Also Known As: AT-057/43467983, 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide, 3-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide, 3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)propanamide, 3-[(3,4-DIMETHOXYPHENETHYL)(METHYL)AMINO]-N~1~-(2-METHOXY-5-NITROPHENYL)PROPANAMIDE
| Molecular Formula | C21H27N3O6 |
|---|---|
| Molecular Weight | 417.19 g/mol |
| LogP | 3.1237 |
| Topological Polar Surface Area | 103.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 417.18997 |
| Heavy Atoms | 30 |
| Complexity | 887.0406 |
Chemical Identifiers
| CAS Number | 429622-47-9 |
|---|---|
| SMILES | CN(CCC1=CC(=C(C=C1)OC)OC)CCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC |
Product Overview
AT-057/43467983 (CAS 429622-47-9), with molecular formula C21H27N3O6 and molecular weight 417.19 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide.
Chemical Property Profile of AT-057/43467983
Property Insights of AT-057/43467983
The XLogP value of 3.1237 indicates that AT-057/43467983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/43467983. Following Lipinski's Rule of Five, AT-057/43467983 has 1 hydrogen bond donor(s) and 7 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 AT-057/43467983?
The CAS number of AT-057/43467983 is 429622-47-9.
What is the molecular formula of AT-057/43467983?
The molecular formula of AT-057/43467983 is C21H27N3O6.
What is the molecular weight of AT-057/43467983?
The molecular weight of AT-057/43467983 is 417.19 g/mol.
Where can I buy AT-057/43467983?
You can request a quote for AT-057/43467983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/43467983?
Yes, KEHONG BIO provides custom synthesis services for AT-057/43467983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.