![2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile structure](/static/products/890/890095-52-0.png)
2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile
TL;DR: 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile (CAS 890095-52-0) is a chemical compound with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetonitrile
Also Known As: 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetonitrile, [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetonitrile, [5-(3,4,5-trimethoxyphenyl)-2{H}-tetrazol-2-yl]acetonitrile, [5-(3,4,5-Trimethoxy-phenyl)-tetrazol-2-yl]-acetonitrile, 2-(5-(3,4,5-Trimethoxyphenyl)-2H-tetrazol-2-yl)acetonitrile
| Molecular Formula | C12H13N5O3 |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 0.88948 |
| Topological Polar Surface Area | 95.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.10184 |
| Heavy Atoms | 20 |
| Complexity | 621.7777 |
Chemical Identifiers
| CAS Number | 890095-52-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN(N=N2)CC#N |
Product Overview
2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile (CAS 890095-52-0), with molecular formula C12H13N5O3 and molecular weight 275.10 g/mol. IUPAC: 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetonitrile.
Chemical Property Profile of 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile
Property Insights of 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile
The XLogP value of 0.88948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile. The TPSA of 95.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile has 0 hydrogen bond donor(s) and 7 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 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile?
The CAS number of 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile is 890095-52-0.
What is the molecular formula of 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile?
The molecular formula of 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile is C12H13N5O3.
What is the molecular weight of 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile?
The molecular weight of 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile is 275.10 g/mol.
Where can I buy 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile?
You can request a quote for 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3,4,5-Trimethoxyphenyl)tetrazol-2-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.