![9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/896/896857-67-3.png)
9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896857-67-3) is a chemical compound with molecular formula C17H11Cl2N3O and molecular weight 343.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-3-[(2-chlorophenyl)methyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 9-chloro-3-(2-chlorobenzyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 9-chloro-3-[(2-chlorophenyl)methyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C17H11Cl2N3O |
|---|---|
| Molecular Weight | 343.03 g/mol |
| LogP | 4.2329 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.02792 |
| Heavy Atoms | 23 |
| Complexity | 1098.0853 |
Chemical Identifiers
| CAS Number | 896857-67-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl)Cl |
Product Overview
9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 896857-67-3), with molecular formula C17H11Cl2N3O and molecular weight 343.03 g/mol. IUPAC: 9-chloro-3-[(2-chlorophenyl)methyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.2329 indicates that 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 2 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 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 896857-67-3.
What is the molecular formula of 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C17H11Cl2N3O.
What is the molecular weight of 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 343.03 g/mol.
Where can I buy 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9-chloro-3-(2-chlorobenzyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.