![4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole structure](/static/products/877/877646-41-8.png)
4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole
TL;DR: 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole (CAS 877646-41-8) is a chemical compound with molecular formula C22H21ClN4 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole
Also Known As: 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole
| Molecular Formula | C22H21ClN4 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 5.2236 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.14548 |
| Heavy Atoms | 27 |
| Complexity | 1081.5743 |
Chemical Identifiers
| CAS Number | 877646-41-8 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=C4C(=CC=C5)Cl |
Product Overview
4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole (CAS 877646-41-8), with molecular formula C22H21ClN4 and molecular weight 376.15 g/mol. IUPAC: 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole.
Chemical Property Profile of 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole
Property Insights of 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole
The XLogP value of 5.2236 indicates that 4-(4-benzylpiperidin-1-yl)-9-chloro-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 44.81 Ų, 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole?
The CAS number of 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole is 877646-41-8.
What is the molecular formula of 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole?
The molecular formula of 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole is C22H21ClN4.
What is the molecular weight of 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole?
The molecular weight of 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole is 376.15 g/mol.
Where can I buy 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole?
You can request a quote for 4-(4-benzylpiperidin-1-yl)-9-chloro-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-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.