PETT deriv. 9
TL;DR: PETT deriv. 9 (CAS 167683-61-6) is a chemical compound with molecular formula C16H16BrClFN3OS and molecular weight 430.99 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-chloro-3-ethoxy-6-fluorophenyl)ethyl]thiourea
Also Known As: PETT deriv. 9, PETT deriv., LY300046HCl Analog 10, Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl)-, 1-(5-bromopyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]thiourea
| Molecular Formula | C16H16BrClFN3OS |
|---|---|
| Molecular Weight | 430.99 g/mol |
| LogP | 4.5644 |
| Topological Polar Surface Area | 46.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.987 |
| Heavy Atoms | 24 |
| Complexity | 715.21387 |
Chemical Identifiers
| CAS Number | 167683-61-6 |
|---|---|
| SMILES | CCOC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)Cl |
Product Overview
PETT deriv. 9 (CAS 167683-61-6), with molecular formula C16H16BrClFN3OS and molecular weight 430.99 g/mol. IUPAC: 1-(5-bromo-2-pyridinyl)-3-[2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl]thiourea.
Chemical Property Profile of PETT deriv. 9
Property Insights of PETT deriv. 9
The XLogP value of 4.5644 indicates that PETT deriv. 9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.18 Ų, PETT deriv. 9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PETT deriv. 9 has 2 hydrogen bond donor(s) and 3 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. 9?
The CAS number of PETT deriv. 9 is 167683-61-6.
What is the molecular formula of PETT deriv. 9?
The molecular formula of PETT deriv. 9 is C16H16BrClFN3OS.
What is the molecular weight of PETT deriv. 9?
The molecular weight of PETT deriv. 9 is 430.99 g/mol.
Where can I buy PETT deriv. 9?
You can request a quote for PETT deriv. 9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PETT deriv. 9?
Yes, KEHONG BIO provides custom synthesis services for PETT deriv. 9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.