![5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine structure](/static/products/5720/57202-39-8.webp)
5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine
TL;DR: 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine (CAS 57202-39-8) is a chemical compound with molecular formula C25H38N2O and molecular weight 382.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptyl-2-(4-octoxyphenyl)pyrimidine
Also Known As: ChemDiv1_019039, 5-heptyl-2-(4-octoxyphenyl)pyrimidine, 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine, 2-(4-octyloxyphenyl)-5-heptylpyrimidine, 5-Heptyl-2-(4-(octyloxy)phenyl)pyrimidine
| Molecular Formula | C25H38N2O |
|---|---|
| Molecular Weight | 382.30 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 35.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 382.2984 |
| Heavy Atoms | 28 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 57202-39-8 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC |
| InChIKey | VLJJKDDNKBVZPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine (CAS 57202-39-8), with molecular formula C25H38N2O and molecular weight 382.30 g/mol. IUPAC: 5-heptyl-2-(4-octoxyphenyl)pyrimidine.
Chemical Property Profile of 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine
Property Insights of 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine
The XLogP value of 8.8 indicates that 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.0 Ų, 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine?
The CAS number of 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine is 57202-39-8.
What is the molecular formula of 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine?
The molecular formula of 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine is C25H38N2O.
What is the molecular weight of 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine?
The molecular weight of 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine is 382.30 g/mol.
Where can I buy 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine?
You can request a quote for 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptyl-2-[4-(octyloxy)phenyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.