PETT deriv.
TL;DR: PETT deriv. (CAS 149488-24-4) is a chemical compound with molecular formula C17H17BrF2N4OS and molecular weight 442.02744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[3-[2-[(5-bromo-2-pyridinyl)carbamothioylamino]ethyl]-2,4-difluorophenyl]methyl]acetamide
Also Known As: PETT deriv., LY300046HCl Analog 3, Acetamide, N-((3-(2-((((5-bromo-2-pyridinyl)amino)thioxomethyl)amino)ethyl)-2,4-difluorophenyl)methyl)-, N-(2-(2,6-Difluoro-3-(acetamidomethyl)phenethyl))-N'-(2-(5-bromopyridyl))thiourea, N-{[3-(2-{[(5-bromopyridin-2-yl)carbamothioyl]amino}ethyl)-2,4-difluorophenyl]methyl}acetamide
Technical Specifications
| Molecular Formula | C17H17BrF2N4OS |
| Molecular Weight | 442.02744 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.02744 Da |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
| SMILES | CC(=O)NCC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)F |
| InChIKey | SXLRVUYLYFNPIP-UHFFFAOYSA-N |
Chemical Property Profile of PETT deriv.
Property Insights of PETT deriv.
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PETT deriv.. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for PETT deriv.. Following Lipinski's Rule of Five, PETT deriv. has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of PETT deriv.?
The CAS number of PETT deriv. is 149488-24-4.
What is the molecular formula of PETT deriv.?
The molecular formula of PETT deriv. is C17H17BrF2N4OS.
What is the molecular weight of PETT deriv.?
The molecular weight of PETT deriv. is 442.02744 g/mol.
Where can I buy PETT deriv.?
You can request a quote for PETT deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for PETT deriv.?
Yes, CoreyChem provides custom synthesis services for PETT deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.