3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d
TL;DR: 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d (CAS 68212-85-1) is a chemical compound with molecular formula C21H18Cl2N6O and molecular weight 440.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-dihydro-1H-imidazo[4,5-d]imidazol-2-one
Also Known As: 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d, 3a,6a-Bis(4-chlorophenyl)-5-(3,5-dimethyl-1H-pyrazol-1-yl)-3,3a,4,6a-tetrahydroimidazo[4,5-d]imidazol-2(1H)-one, 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-dihydro-1H-imidazo[4,5-d]imidazol-2-one
| Molecular Formula | C21H18Cl2N6O |
|---|---|
| Molecular Weight | 440.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.09192 |
| Heavy Atoms | 30 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 68212-85-1 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3(C(N2)(NC(=O)N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C |
| InChIKey | NVEURTGTJNSEJR-UHFFFAOYSA-N |
Product Overview
3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d (CAS 68212-85-1), with molecular formula C21H18Cl2N6O and molecular weight 440.09 g/mol. IUPAC: 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-dihydro-1H-imidazo[4,5-d]imidazol-2-one.
Chemical Property Profile of 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d
Property Insights of 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d
The XLogP value of 3.7 indicates that 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d. Following Lipinski's Rule of Five, 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d has 3 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 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d?
The CAS number of 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d is 68212-85-1.
What is the molecular formula of 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d?
The molecular formula of 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d is C21H18Cl2N6O.
What is the molecular weight of 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d?
The molecular weight of 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d is 440.09 g/mol.
Where can I buy 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d?
You can request a quote for 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d?
Yes, KEHONG BIO provides custom synthesis services for 3a,6a-bis(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-3,6-d and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.