ChemDiv3_002421
TL;DR: ChemDiv3_002421 (CAS 329903-85-7) is a chemical compound with molecular formula C25H25NO5S and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-tert-butyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate
Also Known As: ChemDiv3_002421, AQ-390/40898189, methyl 2-(tert-butyl)-5-(4-methylphenylsulfonamido)naphtho[1,2-b]furan-3-carboxylate, methyl 2-tert-butyl-5-(4-methylbenzenesulfonamido)naphtho[1,2-b]furan-3-carboxylate, F1113-0312
| Molecular Formula | C25H25NO5S |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 5.77932 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.14536 |
| Heavy Atoms | 32 |
| Complexity | 1441.9954 |
Chemical Identifiers
| CAS Number | 329903-85-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C4=CC=CC=C42)OC(=C3C(=O)OC)C(C)(C)C |
Product Overview
ChemDiv3_002421 (CAS 329903-85-7), with molecular formula C25H25NO5S and molecular weight 451.15 g/mol. IUPAC: methyl 2-tert-butyl-5-[(4-methylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate.
Chemical Property Profile of ChemDiv3_002421
Property Insights of ChemDiv3_002421
The XLogP value of 5.77932 indicates that ChemDiv3_002421 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002421. Following Lipinski's Rule of Five, ChemDiv3_002421 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_002421?
The CAS number of ChemDiv3_002421 is 329903-85-7.
What is the molecular formula of ChemDiv3_002421?
The molecular formula of ChemDiv3_002421 is C25H25NO5S.
What is the molecular weight of ChemDiv3_002421?
The molecular weight of ChemDiv3_002421 is 451.15 g/mol.
Where can I buy ChemDiv3_002421?
You can request a quote for ChemDiv3_002421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002421?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.