![3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile structure](/static/products/866/866134-70-5.png)
3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile
TL;DR: 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile (CAS 866134-70-5) is a chemical compound with molecular formula C18H17Cl2N3 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile
Also Known As: 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile, 7X-0276, 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),4-diene-4-carbonitrile, 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile, 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0(2),?]dodeca-2(7),4-diene-4-carbonitrile
| Molecular Formula | C18H17Cl2N3 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 4.41498 |
| Topological Polar Surface Area | 39.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.07996 |
| Heavy Atoms | 23 |
| Complexity | 779.9467 |
Chemical Identifiers
| CAS Number | 866134-70-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)C3CCN2CC3)C4=C(C=C(C=C4)Cl)Cl)C#N |
Product Overview
3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile (CAS 866134-70-5), with molecular formula C18H17Cl2N3 and molecular weight 345.08 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile.
Chemical Property Profile of 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile
Property Insights of 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile
The XLogP value of 4.41498 indicates that 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.06 Ų, 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile has 1 hydrogen bond donor(s) and 3 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 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile?
The CAS number of 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile is 866134-70-5.
What is the molecular formula of 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile?
The molecular formula of 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile is C18H17Cl2N3.
What is the molecular weight of 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile?
The molecular weight of 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile is 345.08 g/mol.
Where can I buy 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile?
You can request a quote for 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.