5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole
TL;DR: 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole (CAS 4235-05-6) is a chemical compound with molecular formula C14H18Cl2N4O and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(3,4-dichloro-2-propylphenoxy)butyl]-2H-tetrazole
Also Known As: LY 137617, 5-[4-(3,4-dichloro-2-propylphenoxy)butyl]-2h-tetrazole, 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole, 1H-Tetrazole, 5-(4-(3,4-dichloro-2-propylphenoxy)butyl)-
| Molecular Formula | C14H18Cl2N4O |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.08575 |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 4235-05-6 |
|---|---|
| SMILES | CCCC1=C(C=CC(=C1Cl)Cl)OCCCCC2=NNN=N2 |
| InChIKey | QXNMEKNZLUTDKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole (CAS 4235-05-6), with molecular formula C14H18Cl2N4O and molecular weight 328.09 g/mol. IUPAC: 5-[4-(3,4-dichloro-2-propylphenoxy)butyl]-2H-tetrazole.
Chemical Property Profile of 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole
Property Insights of 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole
The XLogP value of 4.7 indicates that 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole. Following Lipinski's Rule of Five, 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole has 1 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 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole?
The CAS number of 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole is 4235-05-6.
What is the molecular formula of 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole?
The molecular formula of 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole is C14H18Cl2N4O.
What is the molecular weight of 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole?
The molecular weight of 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole is 328.09 g/mol.
Where can I buy 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole?
You can request a quote for 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(3,4-Dichloro-2-propylphenoxy)butyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.