AH-487/42142711
TL;DR: AH-487/42142711 (CAS 644957-76-6) is a chemical compound with molecular formula C16H16N2O5S2 and molecular weight 380.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: AH-487/42142711, N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-{2-[(2-furylmethyl)sulfanyl]ethyl}acetamide, N-[2-(2-furanylmethylthio)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, N-[2-(2-furfurylthio)ethyl]-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C16H16N2O5S2 |
|---|---|
| Molecular Weight | 380.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.05005 |
| Heavy Atoms | 25 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 644957-76-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCCSCC3=CC=CO3 |
| InChIKey | AEGKXBLYXZRJOF-UHFFFAOYSA-N |
Product Overview
AH-487/42142711 (CAS 644957-76-6), with molecular formula C16H16N2O5S2 and molecular weight 380.05 g/mol. IUPAC: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of AH-487/42142711
Property Insights of AH-487/42142711
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AH-487/42142711. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AH-487/42142711. Following Lipinski's Rule of Five, AH-487/42142711 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 AH-487/42142711?
The CAS number of AH-487/42142711 is 644957-76-6.
What is the molecular formula of AH-487/42142711?
The molecular formula of AH-487/42142711 is C16H16N2O5S2.
What is the molecular weight of AH-487/42142711?
The molecular weight of AH-487/42142711 is 380.05 g/mol.
Where can I buy AH-487/42142711?
You can request a quote for AH-487/42142711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AH-487/42142711?
Yes, KEHONG BIO provides custom synthesis services for AH-487/42142711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.