ChemDiv3_012758
TL;DR: ChemDiv3_012758 (CAS 451476-87-2) is a chemical compound with molecular formula C24H23FN2O5S and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
Also Known As: ChemDiv3_012758, BRD-A97379356-001-01-7, 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide, 3-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]sulfamoyl}-N-(4-ethylphenyl)-4-fluorobenzamide, 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-N-(4-ethylphenyl)-4-fluoro-benzamide
| Molecular Formula | C24H23FN2O5S |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 3.7587 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.13116 |
| Heavy Atoms | 33 |
| Complexity | 1262.1012 |
Chemical Identifiers
| CAS Number | 451476-87-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NCC3COC4=CC=CC=C4O3 |
Product Overview
ChemDiv3_012758 (CAS 451476-87-2), with molecular formula C24H23FN2O5S and molecular weight 470.13 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide.
Chemical Property Profile of ChemDiv3_012758
Property Insights of ChemDiv3_012758
The XLogP value of 3.7587 indicates that ChemDiv3_012758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012758. Following Lipinski's Rule of Five, ChemDiv3_012758 has 2 hydrogen bond donor(s) and 5 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 ChemDiv3_012758?
The CAS number of ChemDiv3_012758 is 451476-87-2.
What is the molecular formula of ChemDiv3_012758?
The molecular formula of ChemDiv3_012758 is C24H23FN2O5S.
What is the molecular weight of ChemDiv3_012758?
The molecular weight of ChemDiv3_012758 is 470.13 g/mol.
Where can I buy ChemDiv3_012758?
You can request a quote for ChemDiv3_012758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012758?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.