A3801/0161295
TL;DR: A3801/0161295 (CAS 727685-83-8) is a chemical compound with molecular formula C22H19BrN4O2 and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide
Also Known As: A3801/0161295, 3-bromo-N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide, 3-bromo-N-(2-(furan-2-ylmethyl)-1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrazin-8-yl)benzamide, 3-BROMO-N-[2-(2-FURYLMETHYL)-1,2,3,4-TETRAHYDROPYRAZINO[1,2-A]BENZIMIDAZOL-8-YL]BENZAMIDE, 3-bromo-N-[2-(furan-2-ylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl]benzamide
| Molecular Formula | C22H19BrN4O2 |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 4.6599 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.06915 |
| Heavy Atoms | 29 |
| Complexity | 1182.9757 |
Chemical Identifiers
| CAS Number | 727685-83-8 |
|---|---|
| SMILES | C1CN2C(=NC3=C2C=CC(=C3)NC(=O)C4=CC(=CC=C4)Br)CN1CC5=CC=CO5 |
Product Overview
A3801/0161295 (CAS 727685-83-8), with molecular formula C22H19BrN4O2 and molecular weight 450.07 g/mol. IUPAC: 3-bromo-N-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide.
Chemical Property Profile of A3801/0161295
Property Insights of A3801/0161295
The XLogP value of 4.6599 indicates that A3801/0161295 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for A3801/0161295. Following Lipinski's Rule of Five, A3801/0161295 has 1 hydrogen bond donor(s) and 4 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 A3801/0161295?
The CAS number of A3801/0161295 is 727685-83-8.
What is the molecular formula of A3801/0161295?
The molecular formula of A3801/0161295 is C22H19BrN4O2.
What is the molecular weight of A3801/0161295?
The molecular weight of A3801/0161295 is 450.07 g/mol.
Where can I buy A3801/0161295?
You can request a quote for A3801/0161295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3801/0161295?
Yes, KEHONG BIO provides custom synthesis services for A3801/0161295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.