A5HE3QC9H5
TL;DR: A5HE3QC9H5 (CAS 258336-05-9) is a chemical compound with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[2,6-dimethyl-4-(5-methyltetrazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazole
Also Known As: WIN 68934, 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL, J1.316.796F, 2,6-Dimethyl-1-(3-(3-methyl-5-isoxazolyl)-propanyl)-4-(4-methyl-2H-tetrazol-2-yl)-phenol, 2-(3,5-Dimethyl-4-(3-(3-methyl-5-isoxazolyl)propoxy)phenyl)-5-methyl-2H-tetrazole
| Molecular Formula | C17H21N5O2 |
|---|---|
| Molecular Weight | 327.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.16953 |
| Heavy Atoms | 24 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 258336-05-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)N3N=C(N=N3)C |
| InChIKey | DRCNRTRGWUYJBH-UHFFFAOYSA-N |
Product Overview
A5HE3QC9H5 (CAS 258336-05-9), with molecular formula C17H21N5O2 and molecular weight 327.17 g/mol. IUPAC: 5-[3-[2,6-dimethyl-4-(5-methyltetrazol-2-yl)phenoxy]propyl]-3-methyl-1,2-oxazole.
Chemical Property Profile of A5HE3QC9H5
Property Insights of A5HE3QC9H5
The XLogP value of 4.1 indicates that A5HE3QC9H5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for A5HE3QC9H5. Following Lipinski's Rule of Five, A5HE3QC9H5 has 0 hydrogen bond donor(s) and 6 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 A5HE3QC9H5?
The CAS number of A5HE3QC9H5 is 258336-05-9.
What is the molecular formula of A5HE3QC9H5?
The molecular formula of A5HE3QC9H5 is C17H21N5O2.
What is the molecular weight of A5HE3QC9H5?
The molecular weight of A5HE3QC9H5 is 327.17 g/mol.
Where can I buy A5HE3QC9H5?
You can request a quote for A5HE3QC9H5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A5HE3QC9H5?
Yes, KEHONG BIO provides custom synthesis services for A5HE3QC9H5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.