AF-399/41178659
TL;DR: AF-399/41178659 (CAS 487033-79-4) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: AF-399/41178659, methyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, ME 2-AMINO-1-(2-(3,4-DIMETHOXY-PH)ET)-1H-PYRROLO(2,3-B)QUINOXALINE-3-CARBOXYLATE, methyl 2-amino-1-(3,4-dimethoxyphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, methyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
| Molecular Formula | C22H22N4O4 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 3.2132 |
| Topological Polar Surface Area | 101.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1641 |
| Heavy Atoms | 30 |
| Complexity | 1249.0825 |
Chemical Identifiers
| CAS Number | 487033-79-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC)N)OC |
Product Overview
AF-399/41178659 (CAS 487033-79-4), with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol. IUPAC: methyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of AF-399/41178659
Property Insights of AF-399/41178659
The XLogP value of 3.2132 indicates that AF-399/41178659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41178659. Following Lipinski's Rule of Five, AF-399/41178659 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 AF-399/41178659?
The CAS number of AF-399/41178659 is 487033-79-4.
What is the molecular formula of AF-399/41178659?
The molecular formula of AF-399/41178659 is C22H22N4O4.
What is the molecular weight of AF-399/41178659?
The molecular weight of AF-399/41178659 is 406.16 g/mol.
Where can I buy AF-399/41178659?
You can request a quote for AF-399/41178659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41178659?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41178659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.