PW72
TL;DR: PW72 (CAS 1164467-16-6) is a chemical compound with molecular formula C20H19N5O3S and molecular weight 409.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: PW72, 1-[(7E)-3-(2-furanyl)-7-(2-furanylmethylene)-3,3a,4,5,6,7-hexahydro-2Hindazol-2-yl]-2-(1H-1,2,4-triazol-5-ylthio)-ethanone, 1-[(7E)-3-(2-furanyl)-7-(2-furanylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone, 1-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, 1-[(7E)-7-(2-furfurylidene)-3-(2-furyl)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone
Technical Specifications
| Molecular Formula | C20H19N5O3S |
| Molecular Weight | 409.12085 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.12085 Da |
| Heavy Atoms | 29 |
| Complexity | 687.0 |
| SMILES | C1CC2C(N(N=C2/C(=C/C3=CC=CO3)/C1)C(=O)CSC4=NC=NN4)C5=CC=CO5 |
| InChIKey | BXYPAUPAZSKHBI-JLHYYAGUSA-N |
Chemical Property Profile of PW72
Property Insights of PW72
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PW72. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PW72. Following Lipinski's Rule of Five, PW72 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
What is the CAS number of PW72?
The CAS number of PW72 is 1164467-16-6.
What is the molecular formula of PW72?
The molecular formula of PW72 is C20H19N5O3S.
What is the molecular weight of PW72?
The molecular weight of PW72 is 409.12085 g/mol.
Where can I buy PW72?
You can request a quote for PW72 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for PW72?
Yes, CoreyChem provides custom synthesis services for PW72 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.