AF-399/40972989
TL;DR: AF-399/40972989 (CAS 374541-27-2) is a chemical compound with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-amine
Also Known As: AF-399/40972989, 1-(2-methoxyphenethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine, 1-[2-(2-methoxyphenyl)ethyl]-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine, 1-[2-(2-methoxyphenyl)ethyl]-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-ylamine, 3-(benzenesulfonyl)-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-amine
| Molecular Formula | C25H22N4O3S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 4.2508 |
| Topological Polar Surface Area | 100.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.14127 |
| Heavy Atoms | 33 |
| Complexity | 1578.2123 |
Chemical Identifiers
| CAS Number | 374541-27-2 |
|---|---|
| SMILES | COC1=CC=CC=C1CCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N |
Product Overview
AF-399/40972989 (CAS 374541-27-2), with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol. IUPAC: 3-(benzenesulfonyl)-1-[2-(2-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-amine.
Chemical Property Profile of AF-399/40972989
Property Insights of AF-399/40972989
The XLogP value of 4.2508 indicates that AF-399/40972989 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40972989. Following Lipinski's Rule of Five, AF-399/40972989 has 1 hydrogen bond donor(s) and 6 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-399/40972989?
The CAS number of AF-399/40972989 is 374541-27-2.
What is the molecular formula of AF-399/40972989?
The molecular formula of AF-399/40972989 is C25H22N4O3S.
What is the molecular weight of AF-399/40972989?
The molecular weight of AF-399/40972989 is 458.14 g/mol.
Where can I buy AF-399/40972989?
You can request a quote for AF-399/40972989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40972989?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40972989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.