F0453-0458
TL;DR: F0453-0458 (CAS 361167-00-2) is a chemical compound with molecular formula C20H17ClN4O5S and molecular weight 460.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4,5-dimethoxy-2-nitrobenzamide
Also Known As: F0453-0458, N-[2-(4-chlorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-4,5-dimethoxy-2-nitrobenzamide, N-(2-(4-chlorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4,5-dimethoxy-2-nitrobenzamide, N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4,5-dimethoxy-2-nitrobenzamide
| Molecular Formula | C20H17ClN4O5S |
|---|---|
| Molecular Weight | 460.06 g/mol |
| LogP | 4.4502 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.06082 |
| Heavy Atoms | 31 |
| Complexity | 1179.3036 |
Chemical Identifiers
| CAS Number | 361167-00-2 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)Cl)[N+](=O)[O-])OC |
Product Overview
F0453-0458 (CAS 361167-00-2), with molecular formula C20H17ClN4O5S and molecular weight 460.06 g/mol. IUPAC: N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4,5-dimethoxy-2-nitrobenzamide.
Chemical Property Profile of F0453-0458
Property Insights of F0453-0458
The XLogP value of 4.4502 indicates that F0453-0458 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 F0453-0458. Following Lipinski's Rule of Five, F0453-0458 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 F0453-0458?
The CAS number of F0453-0458 is 361167-00-2.
What is the molecular formula of F0453-0458?
The molecular formula of F0453-0458 is C20H17ClN4O5S.
What is the molecular weight of F0453-0458?
The molecular weight of F0453-0458 is 460.06 g/mol.
Where can I buy F0453-0458?
You can request a quote for F0453-0458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0453-0458?
Yes, KEHONG BIO provides custom synthesis services for F0453-0458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.