A3401/0144196
TL;DR: A3401/0144196 (CAS 650593-23-0) is a chemical compound with molecular formula C25H27N7O3S and molecular weight 505.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Also Known As: A3401/0144196, 7-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 7-(4-(3-(benzylamino)-4-nitrophenyl)piperazin-1-yl)-2-isopropyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 7-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
| Molecular Formula | C25H27N7O3S |
|---|---|
| Molecular Weight | 505.19 g/mol |
| LogP | 4.1213 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.1896 |
| Heavy Atoms | 36 |
| Complexity | 1443.3176 |
Chemical Identifiers
| CAS Number | 650593-23-0 |
|---|---|
| SMILES | CC(C)C1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CC=C5 |
Product Overview
A3401/0144196 (CAS 650593-23-0), with molecular formula C25H27N7O3S and molecular weight 505.19 g/mol. IUPAC: 7-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of A3401/0144196
Property Insights of A3401/0144196
The XLogP value of 4.1213 indicates that A3401/0144196 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A3401/0144196. Following Lipinski's Rule of Five, A3401/0144196 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3401/0144196?
The CAS number of A3401/0144196 is 650593-23-0.
What is the molecular formula of A3401/0144196?
The molecular formula of A3401/0144196 is C25H27N7O3S.
What is the molecular weight of A3401/0144196?
The molecular weight of A3401/0144196 is 505.19 g/mol.
Where can I buy A3401/0144196?
You can request a quote for A3401/0144196 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3401/0144196?
Yes, KEHONG BIO provides custom synthesis services for A3401/0144196 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.