PETT衍生物
TL;DR: PETT衍生物 (CAS 265672-03-5) is a chemical compound with molecular formula C18H17BrFN3O3 and molecular weight 421.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
PETT衍生物
1-(5-bromo-2-pyridinyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea
Also Known As: PETT deriv., urea-PETT deriv. 17, J1.205.403C, 1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea, 1-(5-bromo-2-pyridyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
| Molecular Formula | C18H17BrFN3O3 |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.04373 |
| Heavy Atoms | 26 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 265672-03-5 |
|---|---|
| SMILES | CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)O |
| InChIKey | VRAJWAGCJIXJHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PETT衍生物 (CAS 265672-03-5), with molecular formula C18H17BrFN3O3 and molecular weight 421.04 g/mol. IUPAC: 1-(5-bromo-2-pyridinyl)-3-[2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea.
Chemical Property Profile of PETT衍生物
Property Insights of PETT衍生物
The XLogP value of 3.3 indicates that PETT衍生物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for PETT衍生物. Following Lipinski's Rule of Five, PETT衍生物 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
Frequently Asked Questions
What is the CAS number of PETT衍生物?
The CAS number of PETT衍生物 is 265672-03-5.
What is the molecular formula of PETT衍生物?
The molecular formula of PETT衍生物 is C18H17BrFN3O3.
What is the molecular weight of PETT衍生物?
The molecular weight of PETT衍生物 is 421.04 g/mol.
Where can I buy PETT衍生物?
You can request a quote for PETT衍生物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PETT衍生物?
Yes, KEHONG BIO provides custom synthesis services for PETT衍生物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.