A3801/0161297
TL;DR: A3801/0161297 (CAS 727685-85-0) is a chemical compound with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]-2-phenoxyacetamide
Also Known As: A3801/0161297, N-(2-(furan-2-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazin-8-yl)-2-phenoxyacetamide, N-[2-(2-FURYLMETHYL)-1,2,3,4-TETRAHYDROPYRAZINO[1,2-A]BENZIMIDAZOL-8-YL]-2-PHENOXYACETAMIDE, N-[2-(furan-2-ylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]-2-phenoxyacetamide, N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]-2-phenoxyacetamide
| Molecular Formula | C23H22N4O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 3.6626 |
| Topological Polar Surface Area | 72.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.1692 |
| Heavy Atoms | 30 |
| Complexity | 1152.1412 |
Chemical Identifiers
| CAS Number | 727685-85-0 |
|---|---|
| SMILES | C1CN2C(=NC3=C2C=CC(=C3)NC(=O)COC4=CC=CC=C4)CN1CC5=CC=CO5 |
Product Overview
A3801/0161297 (CAS 727685-85-0), with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol. IUPAC: N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]-2-phenoxyacetamide.
Chemical Property Profile of A3801/0161297
Property Insights of A3801/0161297
The XLogP value of 3.6626 indicates that A3801/0161297 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A3801/0161297. Following Lipinski's Rule of Five, A3801/0161297 has 1 hydrogen bond donor(s) and 5 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 A3801/0161297?
The CAS number of A3801/0161297 is 727685-85-0.
What is the molecular formula of A3801/0161297?
The molecular formula of A3801/0161297 is C23H22N4O3.
What is the molecular weight of A3801/0161297?
The molecular weight of A3801/0161297 is 402.17 g/mol.
Where can I buy A3801/0161297?
You can request a quote for A3801/0161297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3801/0161297?
Yes, KEHONG BIO provides custom synthesis services for A3801/0161297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.