ChemDiv1_023226
TL;DR: ChemDiv1_023226 (CAS 448212-99-5) is a chemical compound with molecular formula C25H20N2O8S and molecular weight 508.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_023226, METHYL 2-METHYL-5-[N-(4-METHYLBENZENESULFONYL)3-NITROBENZAMIDO]-1-BENZOFURAN-3-CARBOXYLATE, F0808-2472, methyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate, methyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate
| Molecular Formula | C25H20N2O8S |
|---|---|
| Molecular Weight | 508.09 g/mol |
| LogP | 4.78014 |
| Topological Polar Surface Area | 137.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.09402 |
| Heavy Atoms | 36 |
| Complexity | 1621.8287 |
Chemical Identifiers
| CAS Number | 448212-99-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_023226 (CAS 448212-99-5), with molecular formula C25H20N2O8S and molecular weight 508.09 g/mol. IUPAC: methyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_023226
Property Insights of ChemDiv1_023226
The XLogP value of 4.78014 indicates that ChemDiv1_023226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023226. Following Lipinski's Rule of Five, ChemDiv1_023226 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023226?
The CAS number of ChemDiv1_023226 is 448212-99-5.
What is the molecular formula of ChemDiv1_023226?
The molecular formula of ChemDiv1_023226 is C25H20N2O8S.
What is the molecular weight of ChemDiv1_023226?
The molecular weight of ChemDiv1_023226 is 508.09 g/mol.
Where can I buy ChemDiv1_023226?
You can request a quote for ChemDiv1_023226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023226?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.