![Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester structure](/static/products/6966/696637-89-5.webp)
Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester
TL;DR: Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester (CAS 696637-89-5) is a chemical compound with molecular formula C14H12N4O3 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[8-(tetrazol-1-yl)naphthalen-2-yl]oxyacetate
Also Known As: BAS 13090436, methyl {[8-(1H-tetrazol-1-yl)-2-naphthyl]oxy}acetate, methyl 2-[8-(tetrazol-1-yl)naphthalen-2-yl]oxyacetate, A3451/0146550, methyl {[8-(1H-tetrazol-1-yl)naphthalen-2-yl]oxy}acetate
| Molecular Formula | C14H12N4O3 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 1.3673 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.09094 |
| Heavy Atoms | 21 |
| Complexity | 770.995 |
Chemical Identifiers
| CAS Number | 696637-89-5 |
|---|---|
| SMILES | COC(=O)COC1=CC2=C(C=CC=C2N3C=NN=N3)C=C1 |
Product Overview
Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester (CAS 696637-89-5), with molecular formula C14H12N4O3 and molecular weight 284.09 g/mol. IUPAC: methyl 2-[8-(tetrazol-1-yl)naphthalen-2-yl]oxyacetate.
Chemical Property Profile of Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester
Property Insights of Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester
The XLogP value of 1.3673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester 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 Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester?
The CAS number of Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester is 696637-89-5.
What is the molecular formula of Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester?
The molecular formula of Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester is C14H12N4O3.
What is the molecular weight of Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester?
The molecular weight of Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester is 284.09 g/mol.
Where can I buy Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester?
You can request a quote for Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-[[8-(1H-1,2,3,4-tetrazol-1-yl)-2-naphthalenyl]oxy]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.