![2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole structure](/static/products/5142/514220-29-2.webp)
2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole
TL;DR: 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole (CAS 514220-29-2) is a chemical compound with molecular formula C21H18BrN5O5 and molecular weight 499.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole
Also Known As: 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole, 2-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3-methoxyphenyl}-4,6-dinitro-1H-indole, 2-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-5-(4,6-DINITRO-1H-INDOL-2-YL)PHENYL METHYL ETHER
| Molecular Formula | C21H18BrN5O5 |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | 5.28404 |
| Topological Polar Surface Area | 129.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.04913 |
| Heavy Atoms | 32 |
| Complexity | 1391.2373 |
Chemical Identifiers
| CAS Number | 514220-29-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=C(C=C2)C3=CC4=C(N3)C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])OC)C)Br |
Product Overview
2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole (CAS 514220-29-2), with molecular formula C21H18BrN5O5 and molecular weight 499.05 g/mol. IUPAC: 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole.
Chemical Property Profile of 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole
Property Insights of 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole
The XLogP value of 5.28404 indicates that 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole. Following Lipinski's Rule of Five, 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole?
The CAS number of 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole is 514220-29-2.
What is the molecular formula of 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole?
The molecular formula of 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole is C21H18BrN5O5.
What is the molecular weight of 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole?
The molecular weight of 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole is 499.05 g/mol.
Where can I buy 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole?
You can request a quote for 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]-4,6-dinitro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.