ChemDiv1_022966
TL;DR: ChemDiv1_022966 (CAS 448213-93-2) is a chemical compound with molecular formula C23H25NO6S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[acetyl-(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_022966, methyl 5-{acetyl[(4-tert-butylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate, F0808-2547, methyl 5-(N-((4-(tert-butyl)phenyl)sulfonyl)acetamido)-2-methylbenzofuran-3-carboxylate, methyl 5-[acetyl-(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C23H25NO6S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 4.56712 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.14026 |
| Heavy Atoms | 31 |
| Complexity | 1263.8793 |
Chemical Identifiers
| CAS Number | 448213-93-2 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC |
Product Overview
ChemDiv1_022966 (CAS 448213-93-2), with molecular formula C23H25NO6S and molecular weight 443.14 g/mol. IUPAC: methyl 5-[acetyl-(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv1_022966
Property Insights of ChemDiv1_022966
The XLogP value of 4.56712 indicates that ChemDiv1_022966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022966. Following Lipinski's Rule of Five, ChemDiv1_022966 has 0 hydrogen bond donor(s) and 6 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_022966?
The CAS number of ChemDiv1_022966 is 448213-93-2.
What is the molecular formula of ChemDiv1_022966?
The molecular formula of ChemDiv1_022966 is C23H25NO6S.
What is the molecular weight of ChemDiv1_022966?
The molecular weight of ChemDiv1_022966 is 443.14 g/mol.
Where can I buy ChemDiv1_022966?
You can request a quote for ChemDiv1_022966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022966?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.