3-MPPI
TL;DR: 3-MPPI (CAS 133399-65-2) is a chemical compound with molecular formula C23H25N5O3 and molecular weight 419.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Also Known As: 3-MPPI, Biomol-NT_000127, BPBio1_000310, 3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione, 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
| Molecular Formula | C23H25N5O3 |
|---|---|
| Molecular Weight | 419.20 g/mol |
| LogP | 2.0019 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.19574 |
| Heavy Atoms | 31 |
| Complexity | 1344.8357 |
Chemical Identifiers
| CAS Number | 133399-65-2 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(C5=CC=CC=C5N4)NC3=O |
Product Overview
3-MPPI (CAS 133399-65-2), with molecular formula C23H25N5O3 and molecular weight 419.20 g/mol. IUPAC: 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione.
Chemical Property Profile of 3-MPPI
Property Insights of 3-MPPI
The XLogP value of 2.0019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-MPPI. The TPSA of 86.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-MPPI. Following Lipinski's Rule of Five, 3-MPPI has 2 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-MPPI?
The CAS number of 3-MPPI is 133399-65-2.
What is the molecular formula of 3-MPPI?
The molecular formula of 3-MPPI is C23H25N5O3.
What is the molecular weight of 3-MPPI?
The molecular weight of 3-MPPI is 419.20 g/mol.
Where can I buy 3-MPPI?
You can request a quote for 3-MPPI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-MPPI?
Yes, KEHONG BIO provides custom synthesis services for 3-MPPI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.