ChemDiv3_014583
TL;DR: ChemDiv3_014583 (CAS 879933-40-1) is a chemical compound with molecular formula C19H16N2O4S2 and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
Also Known As: ChemDiv3_014583, IDI1_030381, 2-(5-methyl-1-benzofuran-3-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide, 2-(5-methyl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide, N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
| Molecular Formula | C19H16N2O4S2 |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | 3.93562 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.05515 |
| Heavy Atoms | 27 |
| Complexity | 1285.7827 |
Chemical Identifiers
| CAS Number | 879933-40-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC=C2CC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C |
Product Overview
ChemDiv3_014583 (CAS 879933-40-1), with molecular formula C19H16N2O4S2 and molecular weight 400.06 g/mol. IUPAC: 2-(5-methyl-1-benzofuran-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv3_014583
Property Insights of ChemDiv3_014583
The XLogP value of 3.93562 indicates that ChemDiv3_014583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014583. Following Lipinski's Rule of Five, ChemDiv3_014583 has 1 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 ChemDiv3_014583?
The CAS number of ChemDiv3_014583 is 879933-40-1.
What is the molecular formula of ChemDiv3_014583?
The molecular formula of ChemDiv3_014583 is C19H16N2O4S2.
What is the molecular weight of ChemDiv3_014583?
The molecular weight of ChemDiv3_014583 is 400.06 g/mol.
Where can I buy ChemDiv3_014583?
You can request a quote for ChemDiv3_014583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014583?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.