F0529-0091
TL;DR: F0529-0091 (CAS 476458-87-4) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-propan-2-yloxybenzamide
Also Known As: F0529-0091, 4-isopropoxy-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-4-(propan-2-yloxy)benzamide, N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-propan-2-yloxybenzamide, N-[7-(4-nitrophenyl)-3-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]-4-propan-2-yloxy-benzamide
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 4.5668 |
| Topological Polar Surface Area | 99.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1091.4442 |
Chemical Identifiers
| CAS Number | 476458-87-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
F0529-0091 (CAS 476458-87-4), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-propan-2-yloxybenzamide.
Chemical Property Profile of F0529-0091
Property Insights of F0529-0091
The XLogP value of 4.5668 indicates that F0529-0091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F0529-0091. Following Lipinski's Rule of Five, F0529-0091 has 1 hydrogen bond donor(s) and 6 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 F0529-0091?
The CAS number of F0529-0091 is 476458-87-4.
What is the molecular formula of F0529-0091?
The molecular formula of F0529-0091 is C21H20N4O4S.
What is the molecular weight of F0529-0091?
The molecular weight of F0529-0091 is 424.12 g/mol.
Where can I buy F0529-0091?
You can request a quote for F0529-0091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0091?
Yes, KEHONG BIO provides custom synthesis services for F0529-0091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.