![Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester structure](/static/products/1626/16267-19-9.webp)
Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester
TL;DR: Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester (CAS 16267-19-9) is a chemical compound with molecular formula C24H18N4O6 and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[4-(2-methoxycarbonylbenzoyl)-1H-pyrazol-5-yl]-1H-pyrazole-4-carbonyl]benzoate
Also Known As: Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester, methyl 2-[5-[4-(2-methoxycarbonylbenzoyl)-1H-pyrazol-5-yl]-1H-pyrazole-4-carbonyl]benzoate, 2,2/'-[[3,3/'-Bi(1H-pyrazole)-4,4/'-diyl]dicarbonyl]dibenzoic acid dimethyl ester, 2,2 -[[3,3 -Bi(1H-pyrazole)-4,4 -diyl]dicarbonyl]dibenzoic acid dimethyl ester, methyl 2-{4'-[2-(methoxycarbonyl)benzoyl]-1H,1'H-[3,3'-bipyrazole]-4-carbonyl}benzoate
| Molecular Formula | C24H18N4O6 |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.12262 |
| Heavy Atoms | 34 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 16267-19-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(=O)C2=C(NN=C2)C3=C(C=NN3)C(=O)C4=CC=CC=C4C(=O)OC |
| InChIKey | NNJLLTKDUJEMFT-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester (CAS 16267-19-9), with molecular formula C24H18N4O6 and molecular weight 458.12 g/mol. IUPAC: methyl 2-[5-[4-(2-methoxycarbonylbenzoyl)-1H-pyrazol-5-yl]-1H-pyrazole-4-carbonyl]benzoate.
Chemical Property Profile of Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester
Property Insights of Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester. The TPSA of 144.0 Ų indicates high polarity, suggesting Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester has 2 hydrogen bond donor(s) and 8 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 Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester?
The CAS number of Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester is 16267-19-9.
What is the molecular formula of Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester?
The molecular formula of Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester is C24H18N4O6.
What is the molecular weight of Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester?
The molecular weight of Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester is 458.12 g/mol.
Where can I buy Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester?
You can request a quote for Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,2'-([3,3'-bipyrazole]-4,4'-diyldicarbonyl)di-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.