PETT deriv.
TL;DR: PETT deriv. (CAS 181305-33-9) is a chemical compound with molecular formula C16H14BrFN4OS and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-pyridinyl)-3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]thiourea
Also Known As: PETT deriv., LY300046HCl Analog 17, Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl)-, 1-(5-bromopyridin-2-yl)-3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]thiourea, N-(2-(2-Cyano-3-methoxy-6-fluorophenethyl))-N'-(2-(5-bromopyridyl))thiourea
| Molecular Formula | C16H14BrFN4OS |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 3.39258 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.00558 |
| Heavy Atoms | 24 |
| Complexity | 776.88226 |
Chemical Identifiers
| CAS Number | 181305-33-9 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)C#N |
Product Overview
PETT deriv. (CAS 181305-33-9), with molecular formula C16H14BrFN4OS and molecular weight 408.01 g/mol. IUPAC: 1-(5-bromo-2-pyridinyl)-3-[2-(2-cyano-6-fluoro-3-methoxyphenyl)ethyl]thiourea.
Chemical Property Profile of PETT deriv.
Property Insights of PETT deriv.
The XLogP value of 3.39258 indicates that PETT deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for PETT deriv.. Following Lipinski's Rule of Five, PETT deriv. has 2 hydrogen bond donor(s) and 4 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 PETT deriv.?
The CAS number of PETT deriv. is 181305-33-9.
What is the molecular formula of PETT deriv.?
The molecular formula of PETT deriv. is C16H14BrFN4OS.
What is the molecular weight of PETT deriv.?
The molecular weight of PETT deriv. is 408.01 g/mol.
Where can I buy PETT deriv.?
You can request a quote for PETT deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PETT deriv.?
Yes, KEHONG BIO provides custom synthesis services for PETT deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.