WY 45727
TL;DR: WY 45727 (CAS 94662-50-7) is a chemical compound with molecular formula C16H20N2O3S3 and molecular weight 384.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,1-dioxothieno[3,4-b]thiophen-3-amine
Also Known As: N-(2-(((-5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)thieno(3,4-d)isothiazol-3-amine-1,1-dioxide, [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(1,1-dioxo-1H-1, E6-thieno[3,4-d]isothiazol-3-yl)-amine, 3-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-1H-1lambda~6~-thieno[3,4-b]thiophene-1,1-dione, N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]-thio]ethyl]thieno[3,4-d]isothiazol-3-amine 1,1-dioxide
| Molecular Formula | C16H20N2O3S3 |
|---|---|
| Molecular Weight | 384.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.0636 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 94662-50-7 |
|---|---|
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC2=CS(=O)(=O)C3=CSC=C32 |
| InChIKey | XWWRTZCTNGSLNN-UHFFFAOYSA-N |
Product Overview
WY 45727 (CAS 94662-50-7), with molecular formula C16H20N2O3S3 and molecular weight 384.06 g/mol. IUPAC: N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,1-dioxothieno[3,4-b]thiophen-3-amine.
Chemical Property Profile of WY 45727
Property Insights of WY 45727
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WY 45727. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for WY 45727. Following Lipinski's Rule of Five, WY 45727 has 1 hydrogen bond donor(s) and 7 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 WY 45727?
The CAS number of WY 45727 is 94662-50-7.
What is the molecular formula of WY 45727?
The molecular formula of WY 45727 is C16H20N2O3S3.
What is the molecular weight of WY 45727?
The molecular weight of WY 45727 is 384.06 g/mol.
Where can I buy WY 45727?
You can request a quote for WY 45727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WY 45727?
Yes, KEHONG BIO provides custom synthesis services for WY 45727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.