![4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole structure](/static/products/850/850188-85-1.png)
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole
TL;DR: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole (CAS 850188-85-1) is a chemical compound with molecular formula C23H23N5O3 and molecular weight 417.18 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]-9-methoxy-5H-pyrimido[5,4-b]indole
Also Known As: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole, 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-9-methoxy-5H-pyrimido[5,4-b]indole
| Molecular Formula | C23H23N5O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.18008 |
| Heavy Atoms | 31 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 850188-85-1 |
|---|---|
| SMILES | COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 |
| InChIKey | QVLMDYZHUPCMPA-UHFFFAOYSA-N |
Product Overview
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole (CAS 850188-85-1), with molecular formula C23H23N5O3 and molecular weight 417.18 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole
Property Insights of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole
The XLogP value of 3.3 indicates that 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole. Following Lipinski's Rule of Five, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole has 1 hydrogen bond donor(s) and 7 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]-9-methoxy-5H-pyrimido[5,4-b]indole?
The CAS number of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole is 850188-85-1.
What is the molecular formula of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole?
The molecular formula of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole is C23H23N5O3.
What is the molecular weight of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole?
The molecular weight of 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole is 417.18 g/mol.
Where can I buy 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole?
You can request a quote for 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-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]-9-methoxy-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.