ChemDiv1_023184
TL;DR: ChemDiv1_023184 (CAS 448213-33-0) is a chemical compound with molecular formula C23H17N3O8S and molecular weight 495.07364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-1-benzofuran-3-carboxylate
Also Known As: methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)isonicotinamido)benzofuran-3-carboxylate, F0808-2515, methyl 2-methyl-5-[N-(3-nitrobenzenesulfonyl)pyridine-4-amido]-1-benzofuran-3-carboxylate, methyl 2-methyl-5-[(3-nitrophenyl)sulfonyl-(pyridine-4-carbonyl)amino]-1-benzofuran-3-carboxylate, methyl 2-methyl-5-{[(3-nitrophenyl)sulfonyl](pyridin-4-ylcarbonyl)amino}-1-benzofuran-3-carboxylate
Technical Specifications
| Molecular Formula | C23H17N3O8S |
| Molecular Weight | 495.07364 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.07364 Da |
| Heavy Atoms | 35 |
| Complexity | 911.0 |
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)OC |
| InChIKey | GXDIQPPTFSTBIU-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_023184
Property Insights of ChemDiv1_023184
The XLogP value of 3.5 indicates that ChemDiv1_023184 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting ChemDiv1_023184 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_023184 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ChemDiv1_023184?
The CAS number of ChemDiv1_023184 is 448213-33-0.
What is the molecular formula of ChemDiv1_023184?
The molecular formula of ChemDiv1_023184 is C23H17N3O8S.
What is the molecular weight of ChemDiv1_023184?
The molecular weight of ChemDiv1_023184 is 495.07364 g/mol.
Where can I buy ChemDiv1_023184?
You can request a quote for ChemDiv1_023184 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_023184?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_023184 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.