C22H16Cl2N4
TL;DR: C22H16Cl2N4 (CAS 861148-49-4) is a chemical compound with molecular formula C22H16Cl2N4 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methyl]-7-methyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile
Also Known As: UPCMLD0ENAT5747544:001, 1-(2,4-dichlorobenzyl)-4-methyl-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]pyrrolo[3,2-e]pyridine-5-carbonitrile, 1-(2,4-dichlorobenzyl)-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile, 1-[(2,4-dichlorophenyl)methyl]-4-methyl-11-hydrobenzimidazolo[1,2-e]2-pyrrolin o[2,3-b]pyridine-5-carbonitrile
| Molecular Formula | C22H16Cl2N4 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 5.5371 |
| Topological Polar Surface Area | 44.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.0752 |
| Heavy Atoms | 28 |
| Complexity | 1299.8654 |
Chemical Identifiers
| CAS Number | 861148-49-4 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4CC5=C(C=C(C=C5)Cl)Cl)C#N |
Product Overview
C22H16Cl2N4 (CAS 861148-49-4), with molecular formula C22H16Cl2N4 and molecular weight 406.08 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methyl]-7-methyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile.
Chemical Property Profile of C22H16Cl2N4
Property Insights of C22H16Cl2N4
The XLogP value of 5.5371 indicates that C22H16Cl2N4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.33 Ų, C22H16Cl2N4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H16Cl2N4 has 0 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 C22H16Cl2N4?
The CAS number of C22H16Cl2N4 is 861148-49-4.
What is the molecular formula of C22H16Cl2N4?
The molecular formula of C22H16Cl2N4 is C22H16Cl2N4.
What is the molecular weight of C22H16Cl2N4?
The molecular weight of C22H16Cl2N4 is 406.08 g/mol.
Where can I buy C22H16Cl2N4?
You can request a quote for C22H16Cl2N4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H16Cl2N4?
Yes, KEHONG BIO provides custom synthesis services for C22H16Cl2N4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.