![5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione structure](/static/products/1005/1005111-90-9.webp)
5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
TL;DR: 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione (CAS 1005111-90-9) is a chemical compound with molecular formula C30H26Cl2N6O4 and molecular weight 604.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,6-dichlorophenyl)-3-[2-[5-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
Also Known As: 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione, 5-(2,6-dichlorophenyl)-3-[2-[5-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
| Molecular Formula | C30H26Cl2N6O4 |
|---|---|
| Molecular Weight | 604.14 g/mol |
| LogP | 5.28994 |
| Topological Polar Surface Area | 107.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 604.1393 |
| Heavy Atoms | 42 |
| Complexity | 1654.4432 |
Chemical Identifiers
| CAS Number | 1005111-90-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)CN4C5C(C(=O)N(C5=O)C6=C(C=CC=C6Cl)Cl)N=N4)C |
Product Overview
5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione (CAS 1005111-90-9), with molecular formula C30H26Cl2N6O4 and molecular weight 604.14 g/mol. IUPAC: 5-(2,6-dichlorophenyl)-3-[2-[5-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione.
Chemical Property Profile of 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Property Insights of 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
The XLogP value of 5.28994 indicates that 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione?
The CAS number of 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione is 1005111-90-9.
What is the molecular formula of 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione?
The molecular formula of 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione is C30H26Cl2N6O4.
What is the molecular weight of 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione?
The molecular weight of 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione is 604.14 g/mol.
Where can I buy 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione?
You can request a quote for 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,6-dichlorophenyl)-1-{2-[3-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.