C20H22Cl2N6
TL;DR: C20H22Cl2N6 (CAS 904008-28-2) is a chemical compound with molecular formula C20H22Cl2N6 and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2,4-dichlorophenyl)-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N,N-dimethylpropan-1-amine
Also Known As: 3-(2-(2,4-dichlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-N,N-dimethylpropan-1-amine, 3-[2-(2,4-dichlorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-N,N-dimethylpropan-1-amine
| Molecular Formula | C20H22Cl2N6 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 4.62134 |
| Topological Polar Surface Area | 51.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1283 |
| Heavy Atoms | 28 |
| Complexity | 1174.8291 |
Chemical Identifiers
| CAS Number | 904008-28-2 |
|---|---|
| SMILES | CC1=C(N(C2=C1C3=NC(=NN3C=N2)C4=C(C=C(C=C4)Cl)Cl)CCCN(C)C)C |
Product Overview
C20H22Cl2N6 (CAS 904008-28-2), with molecular formula C20H22Cl2N6 and molecular weight 416.13 g/mol. IUPAC: 3-[4-(2,4-dichlorophenyl)-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N,N-dimethylpropan-1-amine.
Chemical Property Profile of C20H22Cl2N6
Property Insights of C20H22Cl2N6
The XLogP value of 4.62134 indicates that C20H22Cl2N6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.25 Ų, C20H22Cl2N6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22Cl2N6 has 0 hydrogen bond donor(s) and 4 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 C20H22Cl2N6?
The CAS number of C20H22Cl2N6 is 904008-28-2.
What is the molecular formula of C20H22Cl2N6?
The molecular formula of C20H22Cl2N6 is C20H22Cl2N6.
What is the molecular weight of C20H22Cl2N6?
The molecular weight of C20H22Cl2N6 is 416.13 g/mol.
Where can I buy C20H22Cl2N6?
You can request a quote for C20H22Cl2N6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22Cl2N6?
Yes, KEHONG BIO provides custom synthesis services for C20H22Cl2N6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.