![4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole structure](/static/products/896/896841-40-0.png)
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole
TL;DR: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole (CAS 896841-40-0) is a chemical compound with molecular formula C24H25N5O2 and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethylpyrimido[5,4-b]indole
Also Known As: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethylpyrimido[5,4-b]indole, 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-5,8-dimethyl-5H-pyrimido[5,4-b]indole
| Molecular Formula | C24H25N5O2 |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 3.48082 |
| Topological Polar Surface Area | 55.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.20084 |
| Heavy Atoms | 31 |
| Complexity | 1290.3575 |
Chemical Identifiers
| CAS Number | 896841-40-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C |
Product Overview
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole (CAS 896841-40-0), with molecular formula C24H25N5O2 and molecular weight 415.20 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethylpyrimido[5,4-b]indole.
Chemical Property Profile of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole
Property Insights of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole
The XLogP value of 3.48082 indicates that 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.65 Ų, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole has 0 hydrogen bond donor(s) and 6 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 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole?
The CAS number of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole is 896841-40-0.
What is the molecular formula of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole?
The molecular formula of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole is C24H25N5O2.
What is the molecular weight of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole?
The molecular weight of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole is 415.20 g/mol.
Where can I buy 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole?
You can request a quote for 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,8-dimethyl-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.