![4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole structure](/static/products/836/836631-65-3.png)
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
TL;DR: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole (CAS 836631-65-3) is a chemical compound with molecular formula C21H20ClN5 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Also Known As: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole, 4-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)-5H-pyrimido[5,4-b]indole
| Molecular Formula | C21H20ClN5 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 4.39952 |
| Topological Polar Surface Area | 48.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.14072 |
| Heavy Atoms | 27 |
| Complexity | 1128.0426 |
Chemical Identifiers
| CAS Number | 836631-65-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3NC5=CC=CC=C54 |
Product Overview
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole (CAS 836631-65-3), with molecular formula C21H20ClN5 and molecular weight 377.14 g/mol. IUPAC: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Property Insights of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
The XLogP value of 4.39952 indicates that 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-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 48.05 Ų, 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole has 1 hydrogen bond donor(s) and 4 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-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The CAS number of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole is 836631-65-3.
What is the molecular formula of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The molecular formula of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole is C21H20ClN5.
What is the molecular weight of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
The molecular weight of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole is 377.14 g/mol.
Where can I buy 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
You can request a quote for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-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-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.