![compound 16a [PMID: 16078829] structure](/static/products/268/268545-87-5.png)
compound 16a [PMID: 16078829]
TL;DR: compound 16a [PMID: 16078829] (CAS 268545-87-5) is a chemical compound with molecular formula C22H26Cl2N4 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-9-heptan-4-yl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
Also Known As: compound 16a [PMID: 16078829], 1-(2,4-Dichlorophenyl)-5-(heptan-4-yl)-7-methyl-4,5-dihydro-3H-2,2a,5,8-tetraazaacenaphthylene, J2.861.989H, 6H-1,3,6,8a-Tetraazaacenaphthylene, 2-(2,4-dichlorophenyl)-7,8-dihydro-4-methyl-6-(1-propylbutyl)-, 1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone
| Molecular Formula | C22H26Cl2N4 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 6.50232 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.15344 |
| Heavy Atoms | 28 |
| Complexity | 1005.4297 |
Chemical Identifiers
| CAS Number | 268545-87-5 |
|---|---|
| SMILES | CCCC(CCC)N1CCN2C3=C1C=C(N=C3C(=N2)C4=C(C=C(C=C4)Cl)Cl)C |
Product Overview
compound 16a [PMID: 16078829] (CAS 268545-87-5), with molecular formula C22H26Cl2N4 and molecular weight 416.15 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-9-heptan-4-yl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
Chemical Property Profile of compound 16a [PMID: 16078829]
Property Insights of compound 16a [PMID: 16078829]
The XLogP value of 6.50232 indicates that compound 16a [PMID: 16078829] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.95 Ų, compound 16a [PMID: 16078829] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, compound 16a [PMID: 16078829] 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 compound 16a [PMID: 16078829]?
The CAS number of compound 16a [PMID: 16078829] is 268545-87-5.
What is the molecular formula of compound 16a [PMID: 16078829]?
The molecular formula of compound 16a [PMID: 16078829] is C22H26Cl2N4.
What is the molecular weight of compound 16a [PMID: 16078829]?
The molecular weight of compound 16a [PMID: 16078829] is 416.15 g/mol.
Where can I buy compound 16a [PMID: 16078829]?
You can request a quote for compound 16a [PMID: 16078829] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for compound 16a [PMID: 16078829]?
Yes, KEHONG BIO provides custom synthesis services for compound 16a [PMID: 16078829] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.