3-Pompd
TL;DR: 3-Pompd (CAS 90059-52-2) is a chemical compound with molecular formula C21H25N5O2 and molecular weight 379.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-methylpiperazin-1-yl)acetyl]-3-phenyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
Also Known As: 3-Pompd, 5-[2-(4-methylpiperazin-1-yl)acetyl]-3-phenyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one, 3-Phenyl-2-oxo-5-(2-(4-methylpiperazin-1-yl)acetyl)-1H-tetrahydropyrido(2,3b)(1,4)diazepine, 2H-Pyrido(2,3-b)(1,4)diazepin-2-one, 1,3,4,5-tetrahydro-5-((4-methyl-1-piperazinyl)acetyl)-3-phenyl-, 1-(2-Hydroxy-3-phenyl-3,4-dihydro-5H-pyrido[2,3-b][1,4]diazepin-5-yl)-2-(4-methylpiperazin-1-yl)ethan-1-one
| Molecular Formula | C21H25N5O2 |
|---|---|
| Molecular Weight | 379.20 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.20084 |
| Heavy Atoms | 28 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 90059-52-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)N2CC(C(=O)NC3=C2N=CC=C3)C4=CC=CC=C4 |
| InChIKey | KSVBQSJCJGTGAZ-UHFFFAOYSA-N |
Product Overview
3-Pompd (CAS 90059-52-2), with molecular formula C21H25N5O2 and molecular weight 379.20 g/mol. IUPAC: 5-[2-(4-methylpiperazin-1-yl)acetyl]-3-phenyl-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one.
Chemical Property Profile of 3-Pompd
Property Insights of 3-Pompd
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pompd. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pompd. Following Lipinski's Rule of Five, 3-Pompd 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 3-Pompd?
The CAS number of 3-Pompd is 90059-52-2.
What is the molecular formula of 3-Pompd?
The molecular formula of 3-Pompd is C21H25N5O2.
What is the molecular weight of 3-Pompd?
The molecular weight of 3-Pompd is 379.20 g/mol.
Where can I buy 3-Pompd?
You can request a quote for 3-Pompd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pompd?
Yes, KEHONG BIO provides custom synthesis services for 3-Pompd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.