ChemDiv1_014490
TL;DR: ChemDiv1_014490 (CAS 449787-97-7) is a chemical compound with molecular formula C25H29N3O6S and molecular weight 499.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv1_014490, F0541-0360, 3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]benzamide, 3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C25H29N3O6S |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 4.05752 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.1777 |
| Heavy Atoms | 35 |
| Complexity | 1319.262 |
Chemical Identifiers
| CAS Number | 449787-97-7 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)C |
Product Overview
ChemDiv1_014490 (CAS 449787-97-7), with molecular formula C25H29N3O6S and molecular weight 499.18 g/mol. IUPAC: 3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv1_014490
Property Insights of ChemDiv1_014490
The XLogP value of 4.05752 indicates that ChemDiv1_014490 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014490. Following Lipinski's Rule of Five, ChemDiv1_014490 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_014490?
The CAS number of ChemDiv1_014490 is 449787-97-7.
What is the molecular formula of ChemDiv1_014490?
The molecular formula of ChemDiv1_014490 is C25H29N3O6S.
What is the molecular weight of ChemDiv1_014490?
The molecular weight of ChemDiv1_014490 is 499.18 g/mol.
Where can I buy ChemDiv1_014490?
You can request a quote for ChemDiv1_014490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014490?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.