F0529-0099
TL;DR: F0529-0099 (CAS 476459-00-4) is a chemical compound with molecular formula C22H22N4O5S and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diethoxy-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: F0529-0099, 3,4-diethoxy-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 3,4-diethoxy-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]benzamide, 3,4-diethoxy-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 3,4-diethoxy-N-[7-(4-nitrophenyl)-3-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]benzamide
| Molecular Formula | C22H22N4O5S |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 4.577 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.1311 |
| Heavy Atoms | 32 |
| Complexity | 1159.873 |
Chemical Identifiers
| CAS Number | 476459-00-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-])OCC |
Product Overview
F0529-0099 (CAS 476459-00-4), with molecular formula C22H22N4O5S and molecular weight 454.13 g/mol. IUPAC: 3,4-diethoxy-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of F0529-0099
Property Insights of F0529-0099
The XLogP value of 4.577 indicates that F0529-0099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.52 Ų falls within the moderate polarity range, balancing permeability and solubility for F0529-0099. Following Lipinski's Rule of Five, F0529-0099 has 1 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 F0529-0099?
The CAS number of F0529-0099 is 476459-00-4.
What is the molecular formula of F0529-0099?
The molecular formula of F0529-0099 is C22H22N4O5S.
What is the molecular weight of F0529-0099?
The molecular weight of F0529-0099 is 454.13 g/mol.
Where can I buy F0529-0099?
You can request a quote for F0529-0099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0099?
Yes, KEHONG BIO provides custom synthesis services for F0529-0099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.