F0605-0074
TL;DR: F0605-0074 (CAS 851081-96-4) is a chemical compound with molecular formula C22H23N3O6S and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzenesulfonyl)-1-tert-butyl-3-methylpyrazol-5-yl] 2-methyl-3-nitrobenzoate
Also Known As: F0605-0074, 1-tert-butyl-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate, [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2-methyl-3-nitrobenzoate, 1-(tert-butyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate, 4-(BENZENESULFONYL)-1-TERT-BUTYL-3-METHYL-1H-PYRAZOL-5-YL 2-METHYL-3-NITROBENZOATE
| Molecular Formula | C22H23N3O6S |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 4.21514 |
| Topological Polar Surface Area | 121.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.13077 |
| Heavy Atoms | 32 |
| Complexity | 1305.4244 |
Chemical Identifiers
| CAS Number | 851081-96-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
F0605-0074 (CAS 851081-96-4), with molecular formula C22H23N3O6S and molecular weight 457.13 g/mol. IUPAC: [4-(benzenesulfonyl)-1-tert-butyl-3-methylpyrazol-5-yl] 2-methyl-3-nitrobenzoate.
Chemical Property Profile of F0605-0074
Property Insights of F0605-0074
The XLogP value of 4.21514 indicates that F0605-0074 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.4 Ų falls within the moderate polarity range, balancing permeability and solubility for F0605-0074. Following Lipinski's Rule of Five, F0605-0074 has 0 hydrogen bond donor(s) and 7 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 F0605-0074?
The CAS number of F0605-0074 is 851081-96-4.
What is the molecular formula of F0605-0074?
The molecular formula of F0605-0074 is C22H23N3O6S.
What is the molecular weight of F0605-0074?
The molecular weight of F0605-0074 is 457.13 g/mol.
Where can I buy F0605-0074?
You can request a quote for F0605-0074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0605-0074?
Yes, KEHONG BIO provides custom synthesis services for F0605-0074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.