ChemDiv1_014721
TL;DR: ChemDiv1_014721 (CAS 450338-33-7) is a chemical compound with molecular formula C23H19ClN4O5S and molecular weight 498.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
Also Known As: ChemDiv1_014721, F0541-0875, 3-(2-chlorophenyl)-N-(2-(4-methoxyphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-methylisoxazole-4-carboxamide, 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide, 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C23H19ClN4O5S |
|---|---|
| Molecular Weight | 498.08 g/mol |
| LogP | 4.17842 |
| Topological Polar Surface Area | 116.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.07648 |
| Heavy Atoms | 34 |
| Complexity | 1523.4332 |
Chemical Identifiers
| CAS Number | 450338-33-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C4CS(=O)(=O)CC4=NN3C5=CC=C(C=C5)OC |
Product Overview
ChemDiv1_014721 (CAS 450338-33-7), with molecular formula C23H19ClN4O5S and molecular weight 498.08 g/mol. IUPAC: 3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of ChemDiv1_014721
Property Insights of ChemDiv1_014721
The XLogP value of 4.17842 indicates that ChemDiv1_014721 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014721. Following Lipinski's Rule of Five, ChemDiv1_014721 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 ChemDiv1_014721?
The CAS number of ChemDiv1_014721 is 450338-33-7.
What is the molecular formula of ChemDiv1_014721?
The molecular formula of ChemDiv1_014721 is C23H19ClN4O5S.
What is the molecular weight of ChemDiv1_014721?
The molecular weight of ChemDiv1_014721 is 498.08 g/mol.
Where can I buy ChemDiv1_014721?
You can request a quote for ChemDiv1_014721 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014721?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014721 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.